Heat Capacity of Liquid

3.
HEAT CAPACITY OF LIQUID

Carl L. Yaws, Xiaoyan Lin, Li Bu, Sachin Nijhawan, Deepa R. Balundgi, and Saumya Tripathi
Lamar University, Beaumont, Texas
3.1. ABSTRACT
Results for heat capacity of liquid as a function of temperature are presented for major organic and inorganic chemicals. The
results cover a wide temperature range and include many compound types. The agreement between correlation and data is
quite good.
3.2. INTRODUCTION
Thermodynamic properties such as liquid heat capacity are important in the engineering design of chemical processes. In
liquid-phase chemical reactions, the liquid heat capacity is required to determine the energy (heat) necessary to bring the liquid
chemical reactants up to reaction temperature. Additional uses include heat exchanger and energy balance design
calculations.
In this article, correlation results for liquid heat capacity are provided in an easy-to-use tabular format that is especially
applicable for rapid engineering use with the personal computer or hand calculator.
3.3. HEAT CAPACITY CORRELATION

The correlation for heat capacity of liquid is a series expansion in temperature:
(3-1)
where CP = heat capacity of liquid, joule/(mol K)
A, B, C, and D = regression coefficients for chemical compound
T = temperature, K
The results for heat capacity of liquid are given in Tables 3-1 and 3-2. In preparing the compilation, a literature search was
conducted to identify data source publications for organics (1–43) and inorganics (1-104). Both experimental values for the
property under consideration and parameter values for estimation of the property are included in the source publications. The
publications were screened for appropriate data. The compilation resulting from the screening is based on both experimental
data and estimated values.
Table 3-1 PART 1: HEAT CAPACITY OF LIQUID - ORGANIC COMPOUNDS (Cp = A + BT + CT2 + D T3) (Cp - Joule/(mol K), T -
K)
© McGraw-Hill Education. All rights reserved. Any use is subject to the Terms of Use, Privacy Notice and copyright information.
NO FORMULA NAME A B C D TMIN TMAX CP @ 25 C
1 CBrClF2 BROMOC 66.642 4.2713E- -1.7526E- 3.3738E- 115 384 127.81

HLORODIF 01 03 06
LUOROME
THANE
2 CBrCl3 BROMOTR 32.285 7.1628E- -1.9205E- 2.0950E- 253 545 130.65

ICHLORO 01 03 06
METHANE
3 CBrF3 BROMOTR 53.868 5.8473E- -2.9409E- 6.6584E- 106 306 143.25

IFLUORO 01 03 06
METHANE
4 CBr2F2 DIBROMO 60.141 5.4837E- -1.9397E- 2.9706E- 164 430 129.94

DIFLUORO 01 03 06
METHANE
5 CClF3 CHLOROT 47.972 5.5277E- -3.1183E- 8.0282E- 93 272 –

RIFLUORO 01 03 06
METHANE
6 CClN CYANOGE -130.070 2.0318E+0 -6.6150E- 7.7883E- 268 404 94.09

N 0 03 06
CHLORIDE
7 CCl2F2 DICHLOR 53.463 4.6913E- -2.0770E- 4.2398E- 116 346 121.07

ODIFLUOR 01 03 06
OMETHA
NE
8 CCl2O PHOSGEN 53.075 4.5299E- -1.6906E- 2.8257E- 146 410 112.03

E 01 O3 06
9 CCl3F TRICHLOR 29.120 3.0976E- -1.1066E- 1.7185E- 163 424 68.65

OFLUORO 01 03 06
METHANE
10 CCl4 CARBON 9.671 9.3363E- -2.6760E- 3.0425E- 251 501 130.72

TETRACH 01 O3 06
LORIDE
11 CF2O CARBONY -33.419 1.9984E+0 -1.0073E- 1.9136E- 163 267 –

L 0 02 05
FLUORIDE
12 CF4 CARBON 25.395 9.8067E- -7.0731E- 2.1219E- 91 205 –

TETRAFLU 01 03 05
ORIDE
13 CHBr3 TRIBROM 23.678 7.1569E- -1.6914E- 1.6314E- 282 626 129.94

OMETHA 01 03 06
NE
14 CHClF2 CHLOROD 44.503 4.7737E- -2.2107E- 4.5786E- 117 332 111.66

IFLUORO 01 03 06
METHANE
15 CHCl2F DICHLOR 51.597 4.1564E- -1.5739E- 2.7008E- 139 406 107.20

OFLUORO 01 03 06
METHANE
NO FORMULA NAME A B C D TMIN TMAX C @ 25 C
16 CHCl3 CHLOROF 28.296 6.5897E- -2.0353E- 2.5901E- 211 483 112.49

ORM 01 03 06
17 CHF3 TRIFLUOR 19.142 8.4432E- o4.6671E- 1.0607E- 119 269 –

OMETHA 01 03 05
NE
18 CHI3 TRIIODOM 194.656 -9.1508E- 1.8580E- – 397 521 –

ETHANE 02 04
19 CHN HYDROGE -123.155 1.7769E- -5.8083E- 6.9129E- 261 411 73.52

N KX) 03 06
CYANIDE
20 CHNS ISOTHIOC – – – – – – –
YANIC-
ACID
21 CH2BrCl BROMOC 48.459 3.8479E- -1.1676E- 1.5606E- 186 501 100.75

HLOROME 01 03 06
THANE
22 CH2Br2 DIBROMO 38.738 4.8154E- -1.3291E- 1.5449E- 222 550 105.11

METHANE 01 03 06
23 CH2ClF CHLOROF 86.915 -3.6025E- 2.6561E- – 141 294 99.78

LUOROME 02 04
THANE
24 CH2Cl2 DICHLOR 38.941 4.9008E- -1.6224E- 2.3069E- 179 459 101.98

OMETHA 01 03 06
NE
25 CH2F2 DIFLUORO 21.136 7.0644E- -3.3337E- 6.4757E- 138 316 107.05

METHANE 01 03 06
26 CH2I2 DIIODOME 49.637 5.5690E- -1.2500E- 1.1654E- 280 672 135.45

THANE O1 03 06
27 CH2O FORMALD – – – – – – –
EHYDE
28 CH2O2 FORMIC -16.110 8.7229E- -2.3665E- 2.4454E- 283 522 98.40

ACID 01 03 06
29 CH3Br METHYL 25.042 4.9612E- -1.7627E- 2.5993E- 181 420 85.16

BROMIDE 01 03 06
30 CH3Cl METHYL 11.381 8.2328E- -2.4353E- 3.8333E- 176 375 82.33

CHLORIDE 01 03 06
31 CH3Cl3Si METHYL 54.416 8.8694E- -2.8583E- 3.8406E- 196 465 166.56

TRICHLOR 01 03 06
OSILANE
32 CH3F METHYL 9.382 8.5352E- -4.4087E- 9.1708E- 132 286 –

FLUORIDE 01 03 06
33 CH3I METHYL 24.222 4.6459E- -1.4583E- 1.8792E- 208 475 82.91

IODIDE 01 03 06
34 CH3NO FORMAMI 36.786 5.1348E- -1.1422E- 1.0480E- 277 694 116.12

DE 01 03 06
35 CH3NO2 NITROME 10.892 7.0067E- -1.9525E- 2.1877E- 246 529 104.22

THANE 01 03 06
36 CH3NO2 METHYL- – – – – – – –
NITRITE
37 CH3NO3 METHYL- – – – – – – –
NITRATE
38 CH4 METHANE -0.018 1.1982E+0 -9.8722E- 3.1670E- 92 172 –

0 03 05
39 CH4Cl2Si METHYL 66.188 6.8839E- -2.3767E- 3.3997E- 184 435 150.26

DICHLOR 01 03 06
OSILANE
40 CH4O METHAN 40.152 3.1046E- -1.0291E- 1.4590E- 176 461 79.93

OL 01 03 O6
41 CH4O3S METHANE – – – – – – –
SULFONIC
ACID
42 CH4S METHYL 46.472 3.7853E- -1.3865E- 2.2085E- 151 423 96.39

MERCAPT 01 03 06
AN
43 CH5ClSi METHYL 68.963 6.0183E- -2.3367E- 4.0231E- 140 398 147.31

CHLOROSI 01 03 06
LANE
44 CH5N METHYLA 13.565 9.0836E- -3.4881E- 5.2770E- 181 387 114.19

MINE 01 03 06
45 CH6Si METHYL 36.552 4.8720E- -2.3448E- 4.9668E- 117 317 105.02

SILANE 01 03 06
46 CN4O8 TETRANIT -280.326 4.0096E+0 -1.1394E- 1.1966E- 288 486 219.46

ROMETHA 0 02 05
NE
47 CO CARBON -19.312 2.5072E+0 -2.8970E- 1.2745E- 69 120 –

MONOXID 0 02 04
E
48 COS CARBONY 31.903 3.9686E- -1.7527E- 3.324E-06 135 341 82.66

L SULFIDE 01 03
49 CO2 CARBON -338.956 5.2796E+0 -2.3279E- 3.5980E- 218 274 –

DIOXIDE 0 02 05
50 CS2 CARBON 39.938 2.3565E- -7.2098E- 1.0443E- 163 497 73.79

DISULFIDE 01 04 06
51 C2BrF3 BROMOTR -20.750 1.4074E+0 -5.1867E- 7.4525E- 201 389 135.33

IFLUOROE 0 03 06
THYLENE
52 C2Br2F4 1,2- 83.092 7.8843E- -2.7534E- 4.1741E- 164 439 184.03

DIBROMO 01 03 06
TETRAFLU
OROETHA
NE
53 C2ClF3 CHLOROT 58.305 6.4342E- -2.9048E- 5.9780E- 116 341 150.36

RIFLUORO 01 03 06
ETHYLEN
E
54 C2ClF5 CHLOROP -17.172 1.8274E+0 -8.0452E- 1.3663E- 175 318 174.61

ENTAFLU 0 03 05
OROETHA
NE
55 C2Cl2F4 1,2- 17.180 8.2104E- -3.1756E- 4.9217E- 180 377 110.13

DICHLOR 01 03 06
OTETRAF
LUOROET
HANE
56 C2Cl3F3 1,1,2- -25.308 1.6488E+0 -5.2824E- 6.5167E- 239 439 169.44

TRICHLOR 0 03 06
OTRIFLUO
ROETHAN
E
57 C2Cl4 TETRACH 51.760 6.5780E- -1.6916E- 1.6652E- 252 558 146.95

LOROETH 01 03 06
YLENE
58 C2Cl4F2 1,1,2,2- -122.474 2.3932E+0 -6.5504E- 6.6997E- 300 496 –

TETRACH 0 03 06
LORODIFL
UOROETH
ANE
59 C2Cl4O TRICHLOR 78.666 6.5083E- -1.0623E- 2.3259E- 201 531 168.81

OACETYL 01 O3 06
CHLORIDE
60 C2Cl6 HEXACHL – – – – – – –
OROETHA
NE
61 C2F4 TETRAFLU -2.266 1.5284E+0 -7.9070E- 1.6018E- -143 276 –

OROETHY 0 03 05
LENE
62 C2F6 HEXAFLU -152.829 3.8878E+0 -1.9409E- 3.5499E- 173 264 –

OROETHA 0 02 05
NE
63 C2HBrClF HALOTHA 51.616 8.7711E- -2.7885E- 3.6941E- 201 469 163.15

3 NE 01 03 06
64 C2HClF2 2- 48.550 8.0574E- -2.5591E- 4.7271E- 136 360 126.95

CHLORO- 01 03 06
1,1-
DIFLUORO
ETHYLEN
E
65 C2HCl3 TRICHLOR 58.916 4.7250E- -1.4035E- 1.8353E- 189 514 123.67

OETHYLE 01 03 06
NE
66 C2HCl3O DICHLOR 68.128 6.3023E- -1.8345E- 2.3116E- 201 521 154.23

OACETYL 01 03 06
CHLORIDE
67 C2HCl3O TRICHLOR 51.153 7.7236E- -2.2695E- 2.7747E- 217 509 153.22

OACETAL 01 03 06
DEHYDE
68 C2HCl5 PENTACH 74.593 7.9922E- -2.0081E- 2.1335E- 245 599 190.91

LOROETH 01 03 06
ANE
69 C2HF3 TRIFLUOR 70.461 -1.7267E- 2.4546E- – 96 251 –

OETHENE 02 04
70 C2HF3O2 TRIFLUOR -75.927 2.0669E+0 -6.4086E- 7.5280E- 259 442 170.15

OACETIC 0 03 06
ACID
71 C2HF5 PENTAFL -34.493 1.9633E+0 -8.9222E- 1.5512E- 171 308 168.85

UOROETH 0 03 05
ANE
72 C2H2 ACETYLE – – – – – – –
NE
73 C2H2Br4 1,1,2,2- 99.752 4.2305E- -8.8103E- 7.8706E- 274 742 168.43

TETRABR 01 04 07
OMOETH
ANE
74 C2H2Cl2 1,1- 57.979 4.0559E- -1.4258E- 2.2741E- 152 434 112.43

DICHLOR 01 03 06
OETHYLE
NE
75 C2H2Cl2 cis-1,2- 41.692 5.9180E- -1.8794E- 2.5208E- 194 474 117.88

DICHLOR 01 03 06
OETHYLE
NE
76 C2H2Cl2 trans-1,2- 11.098 8.7604E- -2.7731E- 3.4932E- 224 457 118.37

DICHLOR 01 03 06
OETHYLE
NE
77 C2H2Cl2O CHLOROA 12.574 9.8386E- -2.7415E- 3.0453E- 252 523 142.92

CETYL 01 03 06
CHLORIDE
78 C2H2Cl2O DICHLOR 29.386 8.0754E- -2.3963E- 2.9026E- 224 500 134.07

OACETAL 01 03 06
DEHYDE
79 C2H2Cl2O DICHLOR 14.071 1.0731E+0 -2.5-170E- 2.45S7E- 288 617 172.72

2 OACETIC 0 03 06
ACID
80 C2H2Cl3F 1,1,1- 56.323 7.1402E- -2.1347E- 2.7158E- 201 509 151.42

TRICHLOR 01 03 06
OFLUORO
ETHANE
81 C2H2Cl4 1,1,1,2- 74.301 5.6404E- -1.5412E- 1.8552E- 204 562 154.63

TETRACH 01 03 06
LOROETH
ANE
82 C2H2Cl4 1,1,2,2- 62631 6.7404E- -1.7561E- 1.9582E- 230 581 159.39

TETRACH 01 03 06
LOROETH
ANE
83 C2H2F2 1,1- 1.271 1.0285E+0 -5.5247E- 1.1887E- 130 273 –

DIFLUORO 0 03 05
ETHYLEN
E
84 C2H2F2 cis-1,2- 79.394 -2.2240E- 2.5396E- – 109 276 –

DIFLUORO 02 04
ETHENE
85 C2H2F2 trans-1,2- 79.394 -2.2240E- 2.5396E- – 109 278 –

DIFLUORO 02 04
ETHENE
86 C2H2F4 1,1,1,2- -14.015 1.4306E+0 -6.0220E- 9.9634E- 173 342 141.80

TETRAFLU 0 03 06
OROETHA
NE
87 C2H2O KETENE 35.985 4.3573E- -1.9959E- 4.0303E- 123 333 95.29

01 03 06
88 C2H2O4 OXALIC – – – – – – –
ACID
89 C2H3Br VINYL 50.988 3.8234E- -1.4003E- 2.3630E- 136 426 103.13

BROMIDE 01 03 06
90 C2H3Cl VINYL 45.366 2.B792E- -1.1535E- 2.1636E- 120 389 86.01

CHLORIDE 01 03 06
91 C2H3ClF2 1- 40.999 7.3050E- -3.0172E- 5.3495E- 143 369 132.37

CHLORO- 01 03 06
1,1-
DIFLUORO
ETHANE
92 C2H3ClO ACETYL 55.906 4.4327E- -1.4885E- 2.2362E- 161 457 115.02

CHLORIDE 01 03 06
93 C2H3ClO CHLOROA 37.389 5.9407E- -1.8083E- 2.3175E- 201 500 115.19

CETALDE 01 03 06
HYDE
94 C2H3ClO2 CHLOROA -60.358 1.4722E+0 -3.3749E- 2.9610E- 334 617 –

CETIC 0 03 06
ACID
95 C2H3ClO2 METHYL 47.268 7.3539E- -2,3261E- 3.0667E- 201 473 141.03

CHLOROF 01 03 06
ORMATE
96 C2H3Cl3 1,1,1- 11.142 1.0501E+0 -3.0826E- 3.5983E- 244 491 145.56

TRICHLOR 0 03 06
OETHANE
97 C2H3Cl3 1,1,2- 34.934 8.5054E- -2.3306E- 2.6455E- 238 542 151.46

TRICHLOR 01 03 06
OETHANE
98 C2H3F VINYL 37.095 5.7380E- -2.9484E- 6.5829E- 114 295 –

FLUORIDE 01 03 06
99 C2H3F3 1,1,1- -2.885 1.3387E- -6.1220E- 1.0862E- 163 312 139.86

TRIFLUOR KW 03 05
OETHANE
100 C2H3N ACETONIT 4.296 6.9400E- -2.0870E- 2.4996E- 230 491 91.94
RILE 01 03 06
101 C2H3NO METHYL -45.350 1.1286E+0 -3.4639E- 4.0222E- 257 455 89.81
ISOCYAN 0 03 06
ATE
102 C2H4 ETHYLEN 25.597 5.7078E- -3.3620E- B.4120E- 105 254 –

E 01 03 06
103 C2H4Br2 1,1- 60.555 5.1074E- -1.3765E- 1.6277E- 211 565 133.61
DIBROMO 01 03 06
ETHANE
104 C2H4Br2 1,2- 16.067 8.1028E- -2.0095E- 1.9894E- 284 585 131.75
DIBROMO 01 03 06
ETHANE
105 C2H4Cl2 1,1- 57.325 5.6014E- -1.8136E- 2.5617E- 177 471 131.00
DICHLOR 01 03 06
OETHANE
106 C2H4Cl2 1,2- 26.310 7.7555E- -2.2271E- 2.6109E- 238 505 128.77
DICHLOR 01 03 06
OETHANE
107 C2H4Cl2O BIS(CHLO 31.958 8.0721E- -2.2981E- 2.6746E- 233 521 139.23
ROMETHY 01 03 06
L)ETHER
108 C2H4F2 1,1- 18.839 7.1043E- -3.0231E- 5.2385E- 157 348 100.76
DIFLUORO 01 03 06
ETHANE
109 C2H4F2 1,2- 2.349 9.3877E- -3.2379E- 4.4459E- 201 428 112.25
DIFLUORO 01 03 06
ETHANE
110 C2H4I2 1,2- 186.357 -9.3383E- 2.149 IE- – 357 503 –

DIIODOET 02 04
HANE
111 C2H4O ACETALD 45.056 4.4853E- -1.06O7E- 2.7000E- 151 415 102.72
EHYDE 01 O3 06
112 C2H4O ETHYLEN 35.720 4.2908E- -1.5473E- 2.4070E- 162 422 69.90
E OXIDE 01 03 06
113 C2H4OS THIOACET – – – – – – –

IC-ACID
114 C2H4O2 ACETIC -18.944 1.0971E+0 -2.8921E- 2.9275E- 291 533 128.66
ACID 0 03 06
115 C2H4O2 METHYL 42.381 5.7064E- -1.9727E- 2.8945E- 175 438 113.87
FORMATE 01 03 06
116 C2H4S THIACYCL 81.296 -8.1717E- 3.7077E- – 166 358 89.89

OPROPAN 02 04
E
117 C2H5Br BROMOET 49.401 3.8348E- -1.3086E- 2.0048E- 156 453 100.54
HANE 01 03 06
118 C2H5Cl ETHYL 60.180 3.4553E- -1.2983E- 2.1963E- 138 414 106.00
CHLORIDE 01 03 06
119 C2H5ClO 2- 58.464 4.2992E- -1.2482E- 1.5263E- 207 527 116.14

CHLOROE 01 03 06
THANOL
120 C2H5F ETHYL 47.221 5.5316E- -2.4970E- 4.8169E- 131 338 117.B4
FLUORIDE 01 03 06
121 C2H5I ETHYL 58.413 3.7396E- -1.1485E- 1.6316E- 163 505 111.06
IODIDE 01 03 06
122 C2H5N ETHYLEN 40.410 5.2835E- -1.6704E- 2.1850E- 196 483 107.36
EIMINE 01 03 06
123 C2H5NO ACETAMI -42.231 1.1311E+0 -2.3734E- 1.9225E- 355 685 –

DE 0 03 06
124 C2H5NO N- 35.271 6.2281E- -1.4573E- 1.4059E- 270 649 128.68

METHYLF 01 03 06
ORMAMID
E
125 C2H5NO2 NITROETH 70.398 5.6738E- -1.6579E- 2.1408E- 185 534 148.93
ANE 01 03 06
126 C2H5NO3 ETHYL- – – – – – – –

NITRATE
127 C2H6 ETHANE 38.332 4.1006E- -2.3024E- 5.9347E- 91 275 –

01 03 06
128 C2H6AlCl DIMETHY 14.491 9.2971E- -2.4828E- 2.6678E- 253 557 141.69
LALUMIN 01 03 06
UM
CHLORIDE
129 C2H6O DIMETHY 48.074 5.6225E- -2.3915E- 4.4614E- 133 360 121.36
L ETHER 01 03 06
130 C2H6O ETHANOL 59.342 3.6358E- -1.2164E- 1.8030E- 160 465 107.40
01 03 06
131 C2H6OS DIMETHY 27.879 7.8628E- -1.7762E- 1.6546E- 293 653 146.27
L 01 03 06
SULFOXID
E
132 C2H6O2 ETHYLEN 75.878 6.4182E- -1.6493E- 1.6937E- 261 581 165.52
E GLYCOL 01 03 06
133 C2H6O4S DIMETHY 85.080 6.4498E- -1.4269E- 1.4557E- 242 682 189.12
L 01 03 06
SULFATE
134 C2H6S DIMETHY 50.108 5.5593E- -1.8618E- 2.6910E- 176 453 121.67
L SULFIDE 01 03 06
135 C2H6S ETHYL 72.618 3.4419E- -1.1990E- 2.0330E- 126 449 122.54
MERCAPT 01 03 06
AN
136 C2H6S2 DIMETHY 76.236 4.9795E- -1.3915E- 1.7762E- 189 545 148.08
L 01 03 06
DISULFIDE
137 C2H7N DIMETHY 36.962 9.5817E- -3.5846E- 5.3990E- 182 394 147.06
LAMINE 01 03 06
138 C2H7N ETHYLAM 15.784 8.7144E- -3.1108E- 4.4673E- 193 411 117.47
INE 01 03 06
139 C2H7NO MONOET 23.111 1.2283E- -3.1218E- 3.0714E- 285 574 193.21
HANOLA KJ0 03 06
MINE
140 C2H8N2 ETHYLEN -28.801 1.5005E+0 -4.0172E- 4.0670E- 285 534 169.25
EDIAMINE 0 03 06
141 C2H8Si DIMETHY 80.542 5.7509E- -2.4542E- 4.7258E- 124 362 139.10
L SILANE 01 03 06
142 C2N2 CYANOGE -224.889 3.6145E+0 -1.3037E- 1.6821E- 246 360 139.69
N 0 02 05
143 C3F6 HEXAFLU 56.118 8.5816E- -3.9981E- 8.2839E- 118 331 176.12
OROPROP 01 03 06
YLENE
144 C3F6O HEXAFLU 30.204 1.7703E+0 -8.1288E- 1.4734E- 152 321 225.95
OROACET 0 03 05
ONE
145 C3F8 OCTAFLU 66.135 1.2101E+0 -5.8622E- 1.2066E- 126 311 225.61
OROPROP 0 03 05
ANE
146 C3H2N2 MALONO -5.793 1.0354E+0 -2.3802E- 2.1470E- 306 644 –

NITRILE 0 03 06
147 C3H3Cl PROPARG 32.486 5.8350E- -1.7987E- 2.3489E- 201 487 108.82
YL 01 03 06
CHLORIDE
148 C3H3N ACRYLONI 33.362 5.8644E- -1.8625E- 2.4956E- 191 482 108.79
TRILE 01 03 06
149 C3H3NO OXAZOLE 57.639 4.2117E- -1.2531E- 1.6223E- 201 499 114.82
01 03 06
150 C3H4 METHYLA 15.304 7.8431E- -3.1665E- 5.1375E- 171 362 103.83
CETYLEN 01 03 06
E
151 C3H4 PROPADIE 32.395 4.8533E- -2.0716E- 3.8414E- 138 354 94.76
NE 01 03 06
152 C3H4Cl2 2,3- 54.917 5.5292E- -1.6272E- 2.1034E- 193 519 130.87
DICHLOR 01 03 06
OPROPEN
E
153 C3H4O ACROLEIN 48.243 5.8199E- -1.9335E- 2.6860E- 186 455 121.07
01 03 06
154 C3H4O PROPARG 43.633 8.2639E- -2.3747E- 2.8288E- 222 522 153.90
YL 01 03 06
ALCOHOL
155 C3H4O2 ACRYLIC -18.242 1.2106E+0 -3.1160E- 3.1409E- 288 554 148.96
ACID 0 03 06
156 C3H4O2 beta- 45.746 5.2593E- -1.3036E- 1.3725E- 241 617 123.05
PROPIOLA 01 03 06
CTONE
157 C3H4O2 VINYL 27.210 9.3492E- -3.C910E- 4.1784 E- 201 448 141.93
FORMATE 01 03 03
158 C3H4O3 ETHYLEN 36.594 7.7104E- -1.6229E- 1.3975E- 311 711 –

E 01 03 06
CARBONA
TE
159 C3H4O3 PYRUVIC 5.288 9.5884E- -2.4314E- 2.3929E- 288 571 138.45
ACID 01 03 06
160 C3H5Br 3-BROMO- 113.850 -7.9860E- 4.1977E- – 155 373 127.35

1- 02 04
PROPENE
161 C3H5Cl 2- 64.195 4.0759E- -1.4675E- 2.4639E- 137 430 120.57

CHLOROP 01 03 06
ROPENE
162 C3H5Cl 3- 62.471 3.5800E- -1.2093E- 1.9291E- 140 463 112.83

CHLOROP 01 03 06
ROPENE
163 C3H5ClO alpha- 52.634 5.7412E- -1.5783E- 1.8687E- 217 549 133.04
EPICHLOR 01 03 06
OHYDRIN
164 C3H5ClO2 METHYL 30.022 9.Q044E- -2.6859E- 3.0203E- 242 540 163.63
CHLOROA 01 03 06
CETATE
165 C3H5ClO2 ETHYL 63.019 1.0786E+0 -3.5343E- 4.8355E- 193 457 198.57
CHLOROF 0 03 06
ORMATE
166 C3H5Cl3 1,2,3- 39.475 9.3369E- -2.3696E- 2.4595E- 259 587 172.40
TRICHLOR 01 03 06
OPROPAN
E
167 C3H5I 3-IODO-1- 130.120 -1.0253E- 4.5072E- – 175 405 139.62

PROPENE 01 04
168 C3H5N PROPIONI 52.658 5.0701E- -1.5507E- 2.0731E- 181 508 120.92
TRILE 01 03 06
169 C3H5NO ACRYLAM -48.597 1.0637E+0 -2.3221E- 1.9286E- 359 639 –

IDE 0 03 06
170 C3H5NO HYDRACR 104.867 6.5944E- -1.6508E- 1.7649E- 228 621 201.51
YLONITRI 01 03 06
LE
171 C3H5NO LACTONIT 78.481 7.4002E- -1.9488E- 2.1353E- 234 579 182.47
RILE 01 03 06
172 C3H5N3O NITROGLY – – – – – – –

9 CERINE
173 C3H6 CYCLOPR 30.543 5.0198E- -2.1040E- 3.7444E- 147 358 92.42
OPANE 01 03 06
174 C3H6 PROPYLE 54.718 3.4512E- -1.6315E- 3.8755E- 89 328 115.30

NE 01 03 06
175 C3H6Br2 1,2- 157.717 -1.0292E- 3.7858E- – 219 443 16068

DIBROMO 01 04
PROPANE
176 C3H6Cl2 1,1- 60.938 6.9144E- -2.0728E- 2.6533E- 201 504 153.16
DICHLOR 01 03 06
OPROPAN
E
177 C3H6Cl2 1,2- 75.742 5.0261E- -1.5107E- 2.0567E- 174 515 145.81
DICHLOR 01 03 06
OPROPAN
E
178 C3H6Cl2 1,3- 85.462 4.4791E- 1.2858E- 1.6933E- 175 543 149.59
DICHLOR 01 03 06
OPROPAN
E
179 C3H6Cl2 2,2- 133.548 -2.0321E- 6.0655E- – 240 372 126.88

DICHLOR 01 04
OPROPAN
E
180 C3H6I2 1,2- 196.466 -1.4565E- 4.2127E- – 254 530 190.49

DIIODOPR 01 04
OPANE
181 C3H6O ACETONE 46.878 6.2652E- -2.0761E- 2.9583E- 179 457 127.53
01 03 06
182 C3H6O ALLYL 81.284 4.3822E- -1.4019E- 2.1259E- 145 491 143.67
ALCOHOL 01 03 06
183 C3H6O METHYL 53.292 6.0476E- -2.3451E- 3.8926E- 152 393 128.31
VINYL 01 03 06
ETHER
184 C3H6O n- 29.204 8.1621E- -2.7350E- 3.7667E- 194 446 129.26

PROPION 01 03 06
ALDEHYD
E
185 C3H6O 1,2- 53.347 5.1543E- -1.8029E- 2.7795E- 162 434 120.42
PROPYLE 01 03 06
NE OXIDE
186 C3H6O 1,3- 29.517 6.1685E- -1.9717E- 2.6102E- 201 468 107.34
PROPYLE 01 03 06
NE OXIDE
187 C3H6O2 ETHYL 47.479 8.1081E- -2.6421E- 3.6081E- 195 458 149.98
FORMATE 01 03 06
188 C3H6O2 METHYL 57.308 6.3751E- -2.1308E- 3.0569E- 176 456 138.99
ACETATE 01 03 06
189 C3H6O2 PROPIONI 29.869 9.4614E- -2.5563E- 2.7814E- 253 544 158.44
C ACID 01 03 06
190 C3H6O2S 3- 13.125 1.2179E+0 -2.7220E- 2.5743E- 292 656 202.50

MERCAPT 0 03 06
OPROPIO
NIC ACID
191 C3H6O3 LACTIC – – – – – – –

ACID
192 C3H6O3 METHOXY 42.745 1.0047E+0 -2.3923E- 2.3077E- 282 622 190.82
ACETIC 0 03 06
ACID
193 C3H6O3 TRIOXANE -127.928 1.9657E- -1.8761E- 4.4890E- 336 544 –

KJ0 03 06
194 C3H6S THIACYCL 109.201 -1.1182E- 4.1243E- – 201 398 112.52

OBUTANE 01 04
195 C3H7Br 1- 70.791 4.9718E- -1.5708E- 2.2582E- 164 490 139.24

BROMOPR 01 03 06
OPANE
196 C3H7Br 2- 41.959 7.4056E- -2.3195E- 3.2325E- 185 479 142.24

BROMOPR 01 03 06
OPANE
197 C3H7Cl ISOPROPY 64.547 5.2282E- -1.8174E- 2.8239E- 157 440 133.71
L 01 03 06
CHLORIDE
198 C3H7Cl n-PROPYL 67.640 4.5271E- -1.5406E- 2.4002E- 151 453 129.29
CHLORIDE 01 03 06
199 C3H7F 1- 87.495 -1.9919E- 2.2365E- – 115 300 101.44

FLUOROP 02 04
ROPANE
200 C3H7F 2- 87.227 -3.3816E- 2.5179E- – 141 294 –

FLUOROP 02 04
ROPANE
201 C3H7I ISOPROPY 66.420 5.0524E- -1.4866E- 1.9647E- 184 520 136.98
L IODIDE 01 03 06
202 C3H7I n-PROPYL 72.223 4.3776E- -1.2696E- 1.7051E- 173 534 135.08
IODIDE 01 03 06
203 C3H7N ALLYLAMI 62.267 6.8530E- -2.3003E- 3.1803E- 186 455 146.40
NE 01 03 06
204 C3H7N PROPYLE 11.421 9.1952E- -2.8116E- 3.4284E- 230 476 126.51
NEIMINE 01 03 06
205 C3H7NO N,N- 63.727 6.0708E- -1.6163E- 1.8560E- 214 582 150.24
DIMETHY 01 03 06
LFORMA
MIDE
206 C3H7NO N- 16.310 8.7673E- -2.0013E- 1.8233E- 302 646 –

METHYLA 01 03 06
CETAMID
E
207 C3H7NO2 1- 92.868 5.1750E- -1.4948E- 1.9847E- 170 545 166.88

NITROPR 01 03 06
OPANE
208 C3H7NO2 2- 86.389 6.0686E- -1.7670E- 2.2920E- 1B3 535 171.00

NITROPR 01 03 06
OPANE
209 C3H7NO3 PROPYL- – – – – – – –

NITRATE
210 C3H7NO3 ISOPROPY – – – – – – –

L-
NITRATE
211 C3H8 PROPANE 59.642 3.2831E- -1.5377E- 3.6539E- 86 333 117.67

01 03 06
212 C3H8O ISOPROPA 72.525 7.9553E- -2.6330E- 3.6498E- 186 457 172.39
NOL 01 03 06
213 C3H8O METHYL 53.730 7.0133E- -2.6597E- 4.3166E- 161 394 140.81
ETHYL 01 03 06
ETHER
214 C3H8O n- 88.080 4.0224E- -1.3032E- 1.9677E- 148 483 144.32

PROPANO 01 03 06
L
215 C3H8O2 2- 74.939 7.1255E- -2.1504E- 2.8269E- 189 508 171.15

METHOXY 01 03 06
ETHANOL
216 C3H8O2 METHYLA 71.690 6.9438E- -2.3871E- 3.6350E- 169 433 162.86
L 01 03 06
217 C3H8O2 1,2- 118.614 6.7283E- -1.8377E- 2.1303E- 214 563 212.32
PROPYLE 01 03 06
NE
GLYCOL
218 C3H8O2 1,3- 79.062 1.1435E+0 -2.9055E- 3.0820E- 247 592 243.40
PROPYLE 0 03 06
NE
GLYCOL
219 C3H8O3 GLYCERO 132.145 8.6007E- -1.9745E- 1.8068E- 292 651 260.94
L 01 03 06
220 C3H8S n- 81.561 4.6417E- -1.4850E- 2.1680E- 161 482 145.40

PROPYLM 01 03 06
ERCAPTA
N
221 C3H8S ISOPROPY 83.939 4.3888E- -1.4514E- 2.2863E- 144 465 145.76
L 01 03 06
MERCAPT
AN
222 C3H8S ETHYL- 131.553 -1.2192E- 5.5458E- – 168 370 144.50

METHYL- 01 04
SULFIDE
223 C3H9N n- 50.389 9.7033E- -3.2728E- 4.5136E- 191 447 168.38

PROPYLA 01 03 06
MINE
224 C3H9N ISOPROPY 57.834 8.8718E- -3.1071E- 4.6044E- 179 425 168.18
LAMINE 01 03 06
225 C3H9N TRIMETH 47.960 7.3020E- -2.8388E- 4.6585E- 157 390 138.78
YLAMINE 01 03 06
226 C3H9NO 1-AMINO- 11.987 1.2623E+0 -3.3222E- 3.3905E- 276 553 182.88
2- 0 03 06
PROPANO
L
227 C3H9NO 3-AMINO- 10.165 1.3660E+0 -3.3987E- 3.3543E- 285 584 204.23
1- 0 03 06
PROPANO
L
228 C3H9NO METHYLE 20.704 1.1721E+0 -3.0232E- 3.1204E- 270 567 184.11
THANOLA 0 03 06
MINE
229 C3H9O4P TRIMETH – – – – – – –

YL
PHOSPHA
TE
230 C3H10N2 1,2- 26.004 1.3569E- -3.8503E- 4.3652E- 238 528 203.98
PROPANE H50 03 06
DIAMINE
231 C3H10Si TRIMETH 66.982 6.7557E- -2.6664E- 4.6980E- 138 389 15569
YL SILANE 01 03 06
232 C4Cl4S TETRACH – – – – – – –

LOROTHI
OPHENE
233 C4Cl6 HEXACHL 66.730 5.3054E- -1.2159E- 1.2039E- 253 667 148.74
ORO-1,3- 01 03 06
BUTADIEN
E
234 C4F8 OCTAFLU 49.574 8.3253E- -3.5878E- 6.5923E- 139 353 153.58
ORO-2- 01 03 06
BUTENE
235 C4F8 OCTAFLU -278.444 5.0367E+0 -1.8835E- 2.5599E- 234 350 227.44
OROCYCL 0 02 05
OBUTANE
236 C4F10 DECAFLU 74.834 1.5602E+0 -6.7549E- 1.2165E- 146 348 261.96
OROBUTA 0 03 05
NE
237 C4H2 BUTADIYN – – – – – – –

E(BIACET
YLENE)
238 C4H2O3 MALEIC -12.662 1.0564E+0 -2.3244E- 2.0518E- 327 649 –

ANHYDRI 0 03 06
DE
239 C4H4 VINYLACE 8.143 8.8875E- -3.1484E- 4.4314E- 201 409 110.70
TYLENE 01 03 06
240 C4H4N2 SUCCINO -3.768 1.1557E+0 -2.4533E- 2.0499E- 332 693 –

NITRILE 0 03 06
241 C4H4O FURAN 33.281 6.5201E- -2.2226E- 3.1164E- 189 441 112.70
01 03 06
242 C4H4O2 DIKETENE 24.669 9.8002E- -2.5652E- 2.6901E- 268 554 160.13
01 03 06
243 C4H4O3 SUCCINIC -71.503 1.3452E+0 -2.6140E- 1.9408E- 394 730 –

ANHYDRI 0 03 06
DE
244 C4H4O4 FUMARIC -1816.608 1.0582E+0 -1.8229E- 1.0941E- 561 694 –

ACID 1 02 05
245 C4H4O4 MALEIC -170.196 2.2916E+0 -4.5516E- 3.3936E- 404 696 –

ACID 0 03 06
246 C4H4S THIOPHE 32.611 6.7871E- -1.9074E- 2.2163E- 236 521 124.15
NE 01 03 06
247 C4H5Cl CHLOROP 78.440 4.2596E- -1.4073E- 2.1860E- 144 473 138.28
RENE 01 03 06
248 C4H5N trans- 27.424 7.3182E- -2.0987E- 2.4768E- 223 527 124.70
CROTONI 01 03 06
TRILE
249 C4H5N cis- 46.235 6.6994E- -2.0035E- 2.5325E- 202 511 135.00
CROTONI 01 03 06
TRILE
250 C4H5N METHACR 3.484 1.1226E+0 -3.2966E- 3.8592E- 238 499 147.42
YLONITRI 0 03 06
LE
251 C4H5N PYRROLE 41.545 6.4459E- -1.6782E- 1.7807E- 251 576 131.74
01 03 06
252 C4H5N VINYLACE 57.718 5.3362E- -1.5729E- 2.0388E- 187 526 131.04
TONITRIL 01 03 06
E
253 C4H5NO2 METHYL 34.459 9.7717E- -2.3802E- 2.4111E- 261 618 178.12
CYANOAC 01 03 06
ETATE
254 C4H6 CYCLOBU 72.569 -2.4828E- 1.7241E- – 155 306 80.49

TENE 02 04
255 C4H6 1,2- 58.969 5.0878E- -1.9609E- 3.4071E- 138 400 126.65
BUTADIEN 01 03 06
E
256 C4H6 1,3- 34.680 7.3205E- -2.8426E- 4.6035E- 165 383 122.26
BUTADIEN 01 03 08
E
257 C4H6 DIMETHY -25.540 1.2894E+0 -4.1111E- 5.0352E- 242 439 126.80
LACETYLE 0 03 06
NE
258 C4H6 ETHYLAC 55.668 6.2486E- -2.3963E- 4.0147E- 148 399 135.38
ETYLENE 01 03 06
259 C4H6Cl2 1,3- 87.399 8.0354E- -1.6638E- 2.0265E- 201 556 173.16
DICHLOR 01 03 06
O-trans-2-
BUTENE
260 C4H6Cl2 1,4- 65.982 7.7047E- -2.0398E- 2.2964E- 226 576 175.23
DICHLOR 01 03 06
O-cis-2-
BUTENE
261 C4H6Cl2 1,4- 15.008 1.1174E+0 -2.8198E- 2.8433E- 275 581 172.85
DICHLOR 0 03 06
O-trans-2-
BUTENE
262 C4H6Cl2 3,4- 62.876 7.5359E- -2.1496E- 2.6035E- 213 530 185.48
DICHLOR 01 03 06
O-1-
BUTENE
263 C4H6O trans- 52.946 7.2786E- -2.1530E- 2.7664E- 198 514 151.89
CROTONA 01 03 06
LDEHYDE
264 C4H6O 2,5- 45.389 6.327 IE- -1.9501E- 2.5349E- 201 488 127.86
DIHYDROF 01 03 06
URAN
265 C4H6O DIVINYL 46.544 6.8934E- -2.4756E- 3.7582E- 173 417 131.61
ETHER 01 03 06
266 C4H6O METHACR 42.511 6.8698E- -2.1841E- 2.9238E- 193 477 130.68
OLEIN 01 03 06
267 C4H6O2 2- -32.149 1.6409E+0 -3.7193E- 3.2662E- 332 626 –

BUTYNE- 0 03 06
1,4-DIOL
268 C4H6O2 gamma- 73.029 4.3498E- -1.0196E- 1.0527E- 231 665 139.99
BUTYROL 01 03 06
ACTONE
269 C4H6O2 cis- -7.425 1.4354E+0 -3.5711E- 3.4943E- 290 582 195.72
CROTONI 0 03 06
C ACID
270 C4H6O2 trans- -118.011 2.0711E+0 -4.7846E- 4.1639E- 346 599 –

CROTONI 0 03 06
C ACID
271 C4H6O2 METHACR -7.089 1.2882E+0 -3.2195E- 3.1623E- 289 579 174.60
YLIC ACID 0 03 06
272 C4H6O2 METHYL 54.109 8.0399E- -2.5149E- 3.3155E- 197 482 158.13
ACRYLAT 01 03 06
E
273 C4H6O2 VINYL 63.910 7.0656E- -2.2832E- 3.1788E- 181 472 155.86
ACETATE 01 03 06
274 C4H6O3 ACETIC 71.831 8.8879E- o2.6S34E- 3.3501E- 201 512 189.75
ANHYDRI 01 03 06
DE
275 C4H6O4 SUCCINIC -416.831 3.5896E+0 -6.6188E- 4.4587E- 462 725 –

ACID 0 03 06
276 C4H6O5 DIGLYCOL -207.030 2.5933E+0 -4.8935E- 3.4671E- 422 738 –

IC ACID 0 03 06
277 C4H6O5 MALIC -142.811 2.5086E+0 -4.9347E- 3.6723E- 404 703 –

ACID 0 03 06
278 C4H6O6 TARTARIC -512.873 4.4047E+0 -7.8567E- 5.1216E- 480 745 –

ACID 0 03 06
279 C4H7N n- 84.111 5.0460E- -1.5134E- 2.1012E- 162 524 155.72

BUTYRONI 01 03 06
TRILE
280 C4H7N ISOBUTYR 51.909 7.8410E- -2.3405E- 2.9697E- 203 509 156.35
ONITRILE 01 03 06
281 C4H7NO ACETONE 55.844 1.3376E+0 -3.4362E- 3.6169E- 254 582 245.04
CYANOHY 0 03 06
DRIN
282 C4H7NO 2- -90.764 1.7110E+0 -3.5405E- 2.7745E- 385 867 –

METHACR 0 03 06
YLAMIDE
283 C4H7NO 3- 63.094 7.0394E- -1.9037E- 2.2158E- 211 574 162.47

METHOXY 0.1 03 06
PROPIONI
TRILE
284 C4H7NO 2- 52.256 7.8791E- -1.6638E- 1.4633E- 299 713 178.05

PYRROLID 01 03 06
ONE
285 C4H8 1-BUTENE 74.597 3.3434E- -1.3914E- 3.0241E- 89 378 130.74

01 03 06
286 C4H8 cis-2- 58.899 5.0376E- -1.9765E- 3.5035E- 135 392 126,25
BUTENE 01 03 06
287 C4H8 trans-2- 36.162 7.9739E- -3.0674E- 4.8919E- 169 386 130.89
BUTENE 01 03 06
288 C4H8 CYCLOBU 40.687 5.3104E- -1.8991E- 2.7874E- 183 414 104.07
TANE 01 03 06
289 C4H8 ISOBUTEN 57.611 5.6251E- -2.2985E- 4.1773E- 134 376 131.72
E 01 03 06
290 C4H8Br2 1,2- 161.110 -9.1363E- 3.5485E- – 209 469 165.41

DIBROMO 02 04
BUTANE
291 C4H8Br2 2,3- 164.727 -1.1861E- 3.8568E- – 240 464 163.65

DIBROMO 01 04
BUTANE
292 C4H8Cl2 1,4- 64.944 8.3651E- -2.1802E- 2.4034E- 237 577 184.25
DICHLOR 01 03 06
OBUTANE
293 C4H8I2 1,2- 194.119 -1.8047E- 4.6690E- – 280 507 181.82

DIIODOBU 01 04
TANE
294 C4H8O n- 64.363 7.2566E- -2.3548E- 3.3065E- 178 473 159.03

BUTYRAL 01 03 06
DEHYDE
295 C4H8O ISOBUTYR 31.228 1.1020E+0 -3.5601E- 4.6662E- 209 456 166.99
ALDEHYD 0 03 06
E
296 C4H8O 1,2- 87.286 3.8742E- -1.2905E- 2.1365E- 124 473 144.70
EPOXYBU 01 03 08
TANE
297 C4H8O METHYL 61.406 7.5324E- -2.3814E- 3.2240E- 187 482 159.75
ETHYL 01 03 06
KETONE
298 C4H8O ETHYL 65.133 6.4348E- -2.2971E- 3.6025E- 158 428 148.27
VINYL 01 03 06
ETHER
299 C4H8O TETRAHY 63.393 4.0257 E- -1.2686E- 1.8275E- 166 486 119.08
DROFURA 01 03 08
N
300 C4H8O2 cis-2- 33.870 1.5014E+0 -3.6176E- 3.5022E- 285 610 252.75
BUTENE- 0 03 06
1,4-DIOL
301 C4H8O2 trans-2- 4.371 1.7115E+0 -4.0527E- 3.7939E- 301 613 –

BUTENE- 0 03 06
1,4-DIOL
302 C4H8O2 ISOBUTYR 62.423 8.1702E- -2.2463E- 2.5743E- 228 548 174.56
IC ACID 01 03 06
303 C4H8O2 n- 28.210 1.1040E+0 -2.8523E- 2.9528E- 269 565 182.09

BUTYRIC 0 03 06
ACID
304 C4H8O2 1,4- -20.729 1.2913E+0 -3.4298E- 3.5408E- 286 526 153.23
DIOXANE 0 03 06
305 C4H8O2 ETHYL 62.832 8.4097E- -2.6998E- 3.6631E- 191 471 170.66
ACETATE 01 03 06
306 C4H8O2 METHYL 72.707 8.2005E- -2.6119E- 3.5581E- 187 478 179.33
PROPION 01 03 06
ATE
307 C4H8O2 n-PROPYL 74.311 6.9572E- -2.1969E- 3.0196E- 181 484 166.48
FORMATE 01 03 06
308 C4H8O2S SULFOLA 74.580 5.5933E- -1.1027E- 9.3850E- 302 764 –

NE 01 03 07
309 C4H8S TETRAHY 91.345 3.1960E- -8.6978E- 1.1074E- 178 569 138.67
DROTHIO 01 04 06
PHENE
310 C4H9Br 1- 86.013 4.6563E- -1.3952E- 1.9565E- 162 519 152.68

BROMOBU 01 03 06
TANE
311 C4H9Br 2- 105.227 4.5815E- -1.4005E- 1.9658E- 162 510 169.43

BROMOBU 01 03 06
TANE
312 C4H9Cl n-BUTYL 86.225 5.1021E- -1.6387E- 2.4698E- 151 483 158.13
CHLORIDE 01 03 06
313 C4H9Cl sec- 90.546 4.7991E- -1.5952E- 2.5017E- 143 469 158.13
BUTYL 01 03 06
CHLORIDE
314 C4H9Cl tert- -21.729 1.4906E+0 -4.5845E- 5.4420E- 249 456 159.39
BUTYL 0 03 06
CHLORIDE
315 C4H9I 2-IODO-2- 142.728 -1.6837E- 5.2368E- – 236 403 139.08

METHYLP 01 04
ROPANE
316 C4H9N PYRROLID 56.715 7.6953E- -2.2572E- 2.7490E- 216 512 158.36
INE 01 03 06
317 C4H9NO N,N- 43.944 8.9037E- -2.2645E- 2.3578E- 254 592 170.59
DIMETHY 01 03 06
LACETAM
IDE
318 C4H9NO MORPHOL 22.401 1.0975E+0 -2.8725E- 2.9705E- 271 556 173.02
INE 0 03 06
319 C4H9NO2 1- – – – – – – –
NITROBUT
ANE
320 C4H9NO2 2- – – – – – – –
NITROBUT
ANE
321 C4H10 n-BUTANE 62.873 5.8913E- -2.3588E- 4.2257E- 136 383 140.84
01 03 06
322 C4H10 ISOBUTA 71.791 4.8472E- -2.0519E- 4.0634E- 115 367 141.61
NE 01 03 06
323 C4H10N2 PIPERAZI -192.418 2.7211E+0 -6.1900E- 5.1736E- 380 574 –

NE 0 03 06
324 C4H10O n- 83.877 5.6628E- -1.7208E- 2.2780E- 185 507 160.12

BUTANOL 01 03 06
325 C4H10O sec- 95.037 5.8593E- -1.8256E- 2.6675E- 159 482 172.18
BUTANOL 01 03 06
326 C4H10O tert- -309.415 4.4863E+0 -1.2958E- 1.3642E- 300 456 –

BUTANOL 0 02 05
327 C4H10O DIETHYL 75.939 7.7335E- -2.7936E- 4.4383E- 158 420 175.81
ETHER 01 03 06
328 C4H10O METHYL- 144.405 -1.6391E- 7.7474E- – 158 342 164.40

PROPYL- 01 04
ETHER
329 C4H10O METHYL 94.789 4.6032E- -1.7158E- 2.9878E- 129 418 158.70
ISOPROPY 01 03 06
L ETHER
330 C4H10O ISOBUTA 96.150 4.9462E- -1.5601E- 2.2031E- 166 493 163.33
NOL 01 03 06
331 C4H10O2 1,3- 125.062 7.6284E- -2.038IE- 2.4560E- 197 579 236.42
BUTANEDI 01 03 06
OL
332 C4H10O2 1,4- 10.303 1.5972E+0 -3.8628E- 3.7022E- 294 600 241.24
BUTANEDI 0 03 06
OL
333 C4H10O2 2,3- 1.022 1.6059E- -4.1757E- 4.2641E- 282 550 221.65
BUTANEDI K)0 03 06
OL
334 C4H10O2 t-BUTYL -18.834 1.1762E- -3.2019E- 3.3722E- 278 518 136.59
HYDROPE KJ0 03 06
ROXIDE
335 C4H10O2 1,2- 45.096 1.1083E+0 -3.3990E- 4.2685E- 216 483 186.52
DIMETHO 0 03 06
XYETHAN
E
336 C4H10O2 2- 84.952 9.3806E- -2.7796E- 3.5283E- 201 512 211.06

ETHOXYE 01 03 06
THANOL
337 C4H10O3 DIETHYLE 126.618 8.5587E- -1.9468E- 1.8725E- 264 670 258.37
NE 01 03 06
GLYCOL
338 C4H10O4 DIETHYL – – – – – – –

S SULFATE
339 C4H10S n-BUTYL 98.315 5.2234E- -1.5783E- 2.2589E- 158 512 173.62
MERCAPT 01 03 06
AN
340 C4H10S ISOBUTYL 115.038 3.6933E- -1.1509E- 1.8046E- 129 503 170.67
MERCAPT 01 03 06
AN
341 C4H10S sec- 104.316 4.4894E- -1.3994E- 2.1926E- 134 499 171.89
BUTYL 01 03 06
MERCAPT
AN
342 C4H10S tert- -75.206 1.9880E+0 -5.7348E- 6.3144E- 275 477 175.08
BUTYL 0 03 06
MERCAPT
AN
343 C4H10S DIETHYL 90.432 5.8704E- -1.8123E- 2.5217E- 170 501 171.19
SULFIDE 01 03 06
344 C4H10S ISOPROPY 150.789 -1.3087E- 5.7976E- – 173 388 163.31

L- 01 04
METHYL-
SULFIDE
345 C4H10S METHYL- 159.495 -1.2092E- 5.7992E- – 161 399 174.99

PROPYL- 01 04
SULFIDE
346 C4H10S2 DIETHYL 125.723 5.2943E- -1.4155E- 1.8261E- 173 578 206.15
DISULFIDE 01 03 06
347 C4H11N n- 32.672 1.1738E+0 -3.6137E- 4.4206E- 225 479 178.56

BUTYLAM 0 03 06
INE
348 C4H11N ISOBUTYL -71.394 8.9544E- -2.9423E- 4.0108E- 190 462 183.12
AMINE 01 03 06
349 C4H11N sec- 81.998 6.9550E- -2.3225E- 3.3532E- 170 463 171.78
BUTYLAM 01 03 06
INE
350 C4H11N tert- 43.328 1.2643E+0 -4.2403E- 5.6876E- 207 436 194.09
BUTYLAM 0 03 06
INE
351 C4H11N DIETHYLA 2.800 1.4016E+0 -4.5271E- 5.7411E- 224 447 170.40
MINE 0 03 06
352 C4H11NO DIMETHY 74.876 1.0965E+0 -3.1968E- 3.9069E- 215 515 221.16
LETHANO 0 03 06
LAMINE
353 C4H11NO DIETHAN 76.703 1.0821E+0 -2.4860E- 2.2497E- 302 644 –

2 OLAMINE 0 03 06
354 C4H11NO 2- 141.811 7.2934E- -1.8110E- 2.0710E- 201 628 253.17

2 AMINOET 01 03 06
HOXYETH
ANOL
355 C4H12N2 N- 151.634 7.7874E- -1.9387E- 2.2052E- 201 629 270.10

O AMINOET 01 03 06
HYL
ETHANOL
AMINE
356 C4H12Si TETRAME 55.176 1.1592E+0 -4.2512E- 6.5005E- 175 405 195.17
THYLSILA 0 03 06
NE
357 C4H13N3 DIETHYLE 91.830 8.2839E- -2.0729E- 2.2306E- 235 608 213.67
NE 01 03 06
TRIAMINE
358 C5Cl6 HEXACHL 37.164 5.0776E- -1.1331E- 1.0504E- 285 671 115.67
OROCYCL 01 03 06
OPENTAD
IENE
359 C5H4O2 FURFURA 86.792 7.0755E- -1.8082E- 1.9630E- 238 591 169.03
L 01 03 06
360 C5H5N PYRIDINE 37.150 6.9497E- -1.8749E- 2.1188E- 233 558 133.85
01 03 06
361 C5H6 CYCLOPE 43.542 5.8799E- -1.9291E- 2.676IE-06 189 456 118.30
NTADIENE 01 03
362 C5H6 2- 61.157 5.5782E- -1.9126E- 2.9378E- 161 443 135.31

METHYL- 01 03 06
1-
BUTENE-
3-YNE
363 C5H6 1- 21.792 9.3719E- -2.9734E- 3.9877E- 201 468 142.59

PENTENE- 01 03 06
3-YNE
364 C5H6 1- 36.297 8.2047E- -2.6840E- 3.6127E- 201 453 138.08

PENTENE- 01 03 06
4-YNE
365 C5H6N2 GLUTARO 70.115 7.1706E- -1.5840E- 1.5600E- 245 704 184.45
NITRILE 01 03 06
366 C5H6O2 FURFURYL 72.353 9.3499E- -2.4272E- 2.5437E- 260 569 202.77
ALCOHOL 01 03 06
367 C5H6O3 GLUTARIC 41.100 9.5549E- -1.9004E- 1.5421E- 329 754 –

ANHYDRI 01 03 06
DE
368 C5H6O4 CITRACO -18.090 1.6511E+0 -3.2561E- 2.5334E- 357 746 –

NIC ACID 0 03 06
369 C5H6O4 ITACONIC -273.296 2.9306E+0 -5.4439E- 3.7600E- 440 739 –

ACID 0 03 06
370 C5H6S 2- 141.537 -1.2849E- 4.6171E- – 211 416 144.27

METHYLT 01 04
HIOPHEN
E
371 C5H6S 3- 140.361 -1.2085E- 4.4876E- – 205 419 144.22

METHYLT 01 04
HIOPHEN
E
372 C5H7N N- 41.210 7.8255E- -2.1567E- 2.5583E- 218 549 150.61

METHYLP 01 03 06
YRROLE
373 C5H7NO2 ETHYL 69.778 1.0987E+0 -2.7196E- 2.8165E- 252 611 230.24
CYANOAC 0 03 06
ETATE
374 C5H8 CYCLOPE 64.821 3.4830E- -1.1840E- 1.9109E- 139 456 114.06
NTENE 01 03 06
375 C5H8 ISOPRENE 80.542 4.5089E- -1.8168E- 2.7723E- 128 436 144.75
01 03 06
376 C5H8 3- 62.370 6.9368E- -2.4233E- 3.7091E- 161 441 152.08

METHYL- 01 03 06
1,2-
BUTADIEN
E
377 C5H8 2- 127.014 -1.0764E- 6.5526E- – 128 337 153.17

METHYL- 01 04
1,3-
BUTADIEN
E
378 C5H8 1,2- 76.700 4.4815E- -1.5516E- 2.5392E- 137 450 139.68
PENTADIE 01 03 06
NE
379 C5H8 cis-1,3- 79.165 4.6309E- -1.8164E- 2.6748E- 133 449 144.44
PENTADIE 01 03 06
NE
380 C5H8 trans-1,3- 47.966 7.8011E- -2.5933E- 3.6547E- 187 450 146.89
PENTADIE 01 03 06
NE
381 C5H8 1,4- 67.713 5.7753E- -2.1090E- 3.6881E- 126 431 150.17
PENTADIE 01 03 06
NE
382 C5H8 2,3- 75.900 5.7996E- -2.0270E- 3.1863E- 149 447 153.07
PENTADIE 01 03 06
NE
383 C5H8 1- 42.607 9.4233E- -3.2983E- 5.0254E- 168 433 163.56

PENTYNE 01 03 06
384 C5H8 2- 156.802 -1.4060E- 6.8609E- – 165 359 174.09

PENTYNE 01 04
385 C5H8 3- 35.285 1.0768E+0 -3.8240E- 5.6180E- 184 417 165.30

METHYL- 0 03 06
1-BUTYNE
386 C5H8 SPIROPEN 112.077 -9.8977E- 4.7696E- – 167 342 124.97

TANE 02 04
387 C5H8N4O PENTAER – – – – – – –

12 YTHRITOL
TETRANIT
RATE
388 C5H8O CYCLOPE 66.239 6.8576E- -1.8291E- 2.1151E- 223 563 164.16
NTANONE 01 03 06
389 C5H8O METHYL 41.822 8.8489E- -2.5959E- 3.1418E- 221 509 158.17
ISOPROPE 01 03 06
NYL
KETONE
390 C5H8O2 ACETYLA 49.793 1.1457E+0 -3.1191E- 3.4079E- 251 542 204.44
CETONE 0 03 06
391 C5H8O2 ALLYL 114.563 5.234 5E- -1.6371E- 2.4846E- 139 503 191.62
ACETATE 01 03 05
392 C5H8O2 ETHYL 66.535 9.1312E- -2.7675E- 3.5431E- 203 498 186.67
ACRYLAT 01 03 06
E
393 C5H8O2 METHYL 42.365 1.0787E+0 -3.1551E- 3.7759E- 226 508 183.58
METHACR 0 03 06
YLATE
394 C5H8O2 VINYL 64.575 8.7548E- -2.6832E- 3.4751E- 201 491 179.18
PROPION 01 03 06
ATE
395 C5H8O3 2- 112.540 7.7899E- -2.0092E- 2.2917E- 214 596 226.93

HYDROXY 01 03 06
ETHYL
ACRYLAT
E
396 C5H8O3 LEVULINI 41.840 1.4153E+0 -3.1901E- 2.8584E- 309 651 –

C ACID 0 03 06
397 C5H8O3 METHYL 127.150 5.1044E- -1.3794E- 1.6579E- 194 578 200.66
ACETOAC 01 03 06
ETATE
398 C5H8O4 GLUTARIC -10.226 1.7285E+0 -3.4237E- 2.6321E- 372 726 –

ACID 0 03 06
399 C5H9N VALERONI 100.491 6.2946E- -1.8110E- 2.3635E- 178 543 189.82
TRILE 01 03 06
400 C5H9NO n-BUTYL 24.141 1.1425E+0 -3.3850E- 4.3837E- 201 511 180.06
ISOCYAN 0 03 06
ATE
K)
401 C5H9NO N- 80.326 6.3684E- -1.4931E- 1.5017E- 250 652 177.27

METHYL- 01 03 06
2-
PYRROLID
ONE
402 C5H9NO4 L- – – – – – – –
GLUTAMI
C ACID
403 C5H10 CYCLOPE 49.998 5.3894E- -1.7696E- 2.5053E- 180 461 119.78
NTANE 01 03 06
404 C5H10 2- 77.452 5.7879E- -2.1473E- 3.6555E- 137 419 156.02

METHYL- 01 03 06
1-BUTENE
405 C5H10 2- 74.305 5.8384E- -2.1386E- 3.5676E- 140 424 152.82

METHYL- 01 03 06
2-BUTENE
406 C5H10 3- 90.005 3.9777E- -1.5462E- 2.9909E- 106 405 150.42

METHYL- 01 03 06
1-BUTENE
407 C5H10 1- B8.892 4.2198E- -1.5803E- 2.9790E- 109 418 153.18

PENTENE 01 03 06
408 C5H10 cis-2- 80.445 4.9493E- -1.8139E- 3.2037E- 123 428 151.67
PENTENE 01 03 06
409 C5H10 trans-2- 81.528 5.2108E- -1.9000E- 3.2213E- 134 428 153.37
PENTENE 01 03 06
410 C5H10Br2 2,3- 180.601 -1.7099E- 4.3932E- – 289 474 168.67

DIBROMO- 01 04
2-
METHYLB
UTANE
411 C5H10Cl2 1,5- 109.864 7.1412E- -1.8637E- 2.1832E- 201 597 214.96
DICHLOR 01 03 06
OPENTAN
E
412 C5H10O METHYL 83.052 7.1419E- -2.1982E- 2.9759E- 182 498 179.46
ISOPROPY 01 03 06
L KETONE
413 C5H10O 2- – – – – – – –
PENTANO
NE
414 C5H10O DIETHYL 26.231 1.2822E+0 -3.7449E- 4.3816E- 235 505 191.76
KETONE 0 03 06
415 C5H10O VALERAL 97.499 6.5995E- -2.0343E- 2.7292E- 183 499 185.76
DEHYDE 01 03 06
416 C5H10O2 n-BUTYL 94.303 7.3040E- -2.2265E- 2.9947E- 182 503 193.52
FORMATE 01 03 06
417 C5H10O2 ETHYL 70.920 9.7543E- -2.9871E- 3.8823E- 200 491 199.10
PROPION 01 03 06
ATE
418 C5H10O2 ISOBUTYL 104.038 8.2157E- -2.5541E- 3.4864E- 178 496 214.35
FORMATE 01 03 06
419 C5H10O2 ISOPROPY 70.900 9.8618E- -3.0555E- 3.9901E- 201 484 199.07
L 01 03 06
ACETATE
420 C5H10O2 n-PROPYL 91.591 7.8205E- -2.4341E- 3.3267E- 179 494 196.55
ACETATE 01 03 06
421 C5H10O2 METHYL 90.092 8.6461E- -2.6506E- 3.5164E- 188 499 205.45
n- 01 03 06
BUTYRAT
E
422 C5H10O2 2- 109.104 7.4411E- -1.9894E- 2.3727E- 201 579 217.00

METHYLB 01 03 06
UTYRIC
ACID
423 C5H10O2 ISOVALER 81.845 1.1114E+0 -2.9084E- 3.1565E- 245 571 238.34
IC ACID 0 03 06
424 C5H10O2 VALERIC 79.976 8.8728E- -2.2799E- 2.4715E- 240 586 207.35
ACID 01 03 06
425 C5H10O2 TETRAHY 115.140 5.1702E- -1.3875E- 16517E-06 201 575 189.73
DROFURF 01 03
URYL
ALCOHOL
426 C5H10O2 3-METHYL 110.368 7.2683E- -1.4981E- 1.3663E- 275 735 230.11
S SULFOLA 01 03 06
NE
427 C5H10O3 DIETHYL 56.865 1.1659E+0 -3.3274E- 3.9006E- 231 518 212.06
CARBONA 0 03 06
TE
428 C5H10O3 ETHYL -46.239 2.1823E+0 -5.9832E- 6.B683E- 248 529 254.59
LACTATE 0 03 06
429 C5H10S THIACYCL 184.412 -2.4478E- 5.9183E- – 293 445 164.04

OHEXANE 01 04
430 C5H10S CYCLOPE 143.203 -7.2569E- 3.8499E- – 156 435 155.79

NTANETH 02 04
IOL
431 C5H11Br 1- 143.414 -1.1807E- 4.7786E- – 186 433 150.69

BROMOPE 01 04
NTANE
432 C5H11Cl 1- 99.232 6.3409E- -1.9117E- 2.6022E- 175 511 187.32

CHLOROP 01 03 06
ENTANE
433 C5H11Cl 1- 127.911 -1.1249E- 4.9476E- – 170 402 138.35

CHLORO- 01 04
3-
METHYLB
UTANE
434 C5H11Cl 2- 129.368 -1.4760E- 5.3859E- – 201 389 133.24

CHLORO- 01 04
2-
METHYLB
UTANE
435 C5H11N N- 73.463 6.1054E- -1.8779E- 2.5390E- 184 495 155.86

METHYLP 01 03 06
YRROLIDI
NE
436 C5H11N PIPERIDIN 11.977 1.2812E+0 -3.4750E- 3.7200E- 264 535 183.64
E 0 03 06
437 C5H11NO tert- 20.664 1.2624E+0 -2.9890E- 2.8365E- 290 623 206.52
BUTYLFO 0 03 06
RMAMIDE
438 C5H12 ISOPENTA 91.474 4.4852E- -1.6859E- 3.1342E- 114 414 158.40
NE 01 03 06
439 C5H12 NEOPENT -186.315 3.2441E+0 -1.0910E- 1.3428E- 258 390 167.00
ANE 0 02 05
440 C5H12 n- 80.641 8.2195E- -2.2682E- 3.7423E- 144 423 163.64

PENTANE 01 03 06
441 C5H12O 2,2- -280.652 3.8455E+0 -1.0176E- 9.8371E- 326 495 –

DIMETHY 0 02 06
L-1-
PROPANO
L
442 C5H12O tert- 239.683 -2.5343E- 5.6873E- – 328 416 –

PENTYL- 01 04
ALCOHOL
443 C5H12O 2- 109.861 8.8256E- -2.6422E- 3.3415E- 201 509 226.68

METHYL- 01 03 06
1-
BUTANOL
444 C5H12O 2- -38.513 2.2919E+0 -6.5955E- 7.2865E- 265 491 251.62

METHYL- 0 03 06
2-
BUTANOL
445 C5H12O 3- 95.590 4.8022E- -1.4387E- 20386E-06 157 522 164.90

METHYL- 01 03
1-
BUTANOL
446 C5H12O 3- 85.419 8.6417E- -2.5382E- 3.2100E- 201 517 202.52

METHYL- 01 03 06
2-
BUTANOL
447 C5H12O 1- 105.748 7.4623E- -2.1694E- 2.7315E- 197 528 207.78

PENTANO 01 03 06
L
448 C5H12O 2- 93.720 1.1370E+0 -3.4487E- 4.4456E- 201 497 243.98

PENTANO 0 03 06
L
449 C5H12O 3- 87.761 1.2602E+0 -3.8391E- 4.9160E- 205 492 252.51

PENTANO 0 03 06
L
450 C5H12O METHYL 49.275 1.1582E+0 -3.8163E- 5.1616E- 201 448 192.16
sec- 0 03 06
BUTYL
ETHER
451 C5H12O METHYL 83.744 7.6602E- -2.6132E- 3.9171E- 166 447 183.66
tert- 01 03 06
BUTYL
ETHER
452 C5H12O METHYL 49.834 1.1435E+0 -3.7712E- 5.1067E- 201 447 190.88
ISOBUTYL 0 03 06
ETHER
453 C5H12O ETHYL 102.864 7.0110E- -2.4095E- 3.8232E- 147 450 199.04
PROPYL 01 03 06
ETHER
454 C5H12O2 ETHYLEN 99.514 7.2678E- -2.1371E- 2.8033E- 184 524 200.52
E GLYCOL 01 03 06
MONOPR
OPYL
ETHER
455 C5H12O2 NEOPENT -509.209 5.1325E+0 -1.1404E- 9.1520E- 401 579 –

YL 0 02 06
GLYCOL
456 C5H12O2 1,5- 67.470 1.0846E+0 -2.6842E- 2.7543E- 258 606 225.24
PENTANE 0 03 06
DIOL
457 C5H12O3 2-(2- 138.608 9.8731E- -2.6928E- 3.2679E- 198 567 280.22
METHOXY 01 03 06
ETHOXY)E
THANOL
458 C5H12O4 PENTAER -1429.747 9.5192E+0 -1.6680E- 1.0341E- 535 702 –

YTHRITOL 0 02 05
459 C5H12S n-PENTYL 94.716 7.5979E- -2.1472E- 2.6885E- 198 538 201.63
MERCAPT 01 03 06
AN
460 C5H12S BUTYL- 187.240 -1.4780E- 6.3060E- – 176 427 199.23

METHYL- 01 04
SULFIDE
461 C5H12S ETHYL- 180.319 -1.2105E- 5.9709E- – 157 422 197.30

PROPYL- 01 04
SULFIDE
462 C5H12S 2- 165.372 -1.2006E- 5.5546E- – 170 402 178.95

METHYL- 01 04
2-
BUTANET
HIOL
463 C5H13N n- 60.963 1.1533E+0 -3.4538E- 4.2115E- 219 500 209.44

PENTYLA 0 03 06
MINE
464 C5H13NO METHYL 105.151 1.3564E+0 -3.3459E- 3.4589E- 253 610 303.80
2 DIETHAN 0 03 06
OLAMINE
465 C6Cl6 HEXACHL -743.411 5.4844E+0 -9.6238E- 60919E-06 503 743 –

OROBENZ 0 03
ENE
466 C6F6 HEXAFLU -138.486 2.9233E+0 -8.5664E- 9.3787E- 279 465 220.17
OROBENZ 0 03 06
ENE
467 C6H3ClN2 1- – – – – – – –
O4 CHLORO-
2,4-
DINITROB
ENZENE
468 C6H3Cl2N 1,2- – – – – – – –

O2 DICHLOR
O-4-
NITROBE
NZENE
469 C6H3Cl3 1,2,4- 48.567 1.0127E+0 -2.3033E- 2.1401E- 291 653 202.46
TRICHLOR 0 03 06
OBENZEN
E
470 C6H3N3O 1,3,5- – – – – – – –

6 TRINITRO
BENZENE
471 C6H4Br2 m- 85.577 6.0756E- -1.3411E- 1.2780E- 267 685 181.38

DIBROMO 01 03 06
BENZENE
472 C6H4ClN m- 17.760 1.3304E+0 -2.9350E- 2.5462E- 319 668 –

O2 CHLORON 0 03 06
ITROBENZ
ENE
473 C6H4ClN o- 45.550 1.1378E+0 -2.4757E- 2.1890E- 307 681 –

O2 CHLORON 0 03 06
ITROBENZ
ENE
474 C6H4ClN p- -29.177 1.6056E+0 -3.3941E- 2.7386E- 358 676 –

O2 CHLORON 0 03 06
ITROBENZ
ENE
475 C6H4Cl2 m- 61.903 7.3971E- -1.8045E- 1.8839E- 249 616 171.97

DICHLOR 01 03 06
OBENZEN
E
476 C6H4Cl2 o- 68.542 7.7568E- -1.8380E- 1.8585E- 257 635 185.68

DICHLOR 01 03 06
OBENZEN
E
477 C6H4Cl2 p- -32.283 1.4413E+0 -3.3088E- 2.9587E- 327 616 –

DICHLOR 0 03 06
OBENZEN
E
478 C6H4F2 m- 146.205 -2.2760E- 6.4167E- – 250 394 135.39

DIFLUORO 01 04
BENZENE
479 C6H4F2 o- 143.058 -2.0858E- 6.1680E- – 240 395 135.70

DIFLUORO 01 04
BENZENE
480 C6H4F2 p- 149.090 -2.4236E- 6.5284E- – 261 392 134.86

DIFLUORO 01 04
BENZENE
481 C6H4N2O m- 14.002 1.5564E+0 -3.1119E- 2.4113E- 365 725 –

4 DINITROB 0 03 06
ENZENE
482 C6H4N2O o- -51.485 1.7659E+0 -3.3714E- 2.4936E- 391 748 –

4 DINITROB 0 03 06
ENZENE
483 C6H4N2O p- -262.234 2.8646E+0 -5.3418E- 3.6879E- 448 723 –

4 DINITROB 0 03 06
ENZENE
484 C6H5Br BROMOBE 65.399 6.4039E- -1.6014E- 1.7006E- 243 603 159.05
NZENE 01 03 06
485 C6H5Cl MONOCH 64.358 6.1906E- -1.6346E- 1.8470E- 229 569 152.60
LOROBEN 01 03 O6
ZENE
486 C6H5ClO m- 38.907 8.8277E- -1.9666E- 1.7734E- 307 656 –

CHLOROP 01 03 06
HENOL
487 C6H5ClO o- 40.234 1.0880E+0 -2.6322E- 2.5615E- 283 608 198.53

CHLOROP 0 03 06
HENOL
488 C6H5ClO p- 16.057 1.0413E+0 -2.2888E- 2.0147E- 317 664 –

CHLOROP 0 03 06
HENOL
489 C6H5Cl2N 3,4- 15.718 1.2502E+0 -2.5363E- 2.0484E- 346 720 –

DICHLOR 0 03 06
OANILINE
490 C6H5F FLUOROB 35.390 8.6297E- -2.5132E- 2.9781E- 232 504 146.21
ENZENE 01 03 06
491 C6H5I IODOBEN 76.484 5.4594E- -1.2829E- 1.3175E- 243 649 160.14
ZENE 01 03 06
492 C6H5NO2 NITROBE 51.773 9.1277E- -2.1098E- 2.0093E- 260 647 189.62
NZENE 01 03 06
493 C6H6 BENZENE -31.662 1.3043E+0 -3.6078E- 3.8243E- 280 506 137.87
0 03 06
494 C6H6ClN m- 67.821 9.1756E- -2.0690E- 2.0013E- 264 676 210.51

CHLOROA 01 03 06
NILINE
495 C6H6ClN o- -744.768 5.4383E+0 -1.0437E- 7.0862E- 483 650 –

CHLOROA 0 02 06
NILINE
496 C6H6ClN p- -23.832 1.4236E+0 -3.0256E- 2.5105E- 344 679 –

CHLOROA 0 03 06
NILINE
497 C6H6N2 cis- 49.966 1.1770E+0 -2.9128E- 2.9828E- 250 622 221.04
DICYANO- 0 03 06
1-BUTENE
498 C6H6N2 trans- 34.915 1.2997E+0 -3.1934E- 3.2026E- 261 620 223.43
DICYANO- 0 03 06
1-BUTENE
499 C6H6N2 1,4- -90.745 1.9916E+0 -4.2350E- 3.4644E- 350 680 –

DICYANO- 0 03 06
2-BUTENE
500 C6H6N2O m- -32.233 1.6894E+0 -3.2858E- 2.4503E- 388 734 –

2 NITROANI 0 03 06
LINE
501 C6H6N2O o- 36.230 1.3890E+0 -2.8446E- 2.3237E- 346 706 –

2 NITROANI 0 03 06
LINE
502 C6H6N2O p- 86.794 1.8706E+0 -3.4276E- 2.4025E- 422 766 –

2 NITROANI 0 03 06
LINE
503 C6H6O PHENOL 36.622 1.0983E+0 -2.4897E- 2.2802E- 315 625 –

0 03 06
504 C6H6O2 1,2- -52.044 1.4248E+0 -2.9108E- 2.2679E- 379 688 –

BENZENE 0 03 06
DIOL
505 C6H6O2 1,3- -7.809 1.4223E+0 -2.7824E- 2.0976E- 383 729 –

BENZENE 0 03 06
DIOL
506 C6H6O2 p- -72.810 1.6718E+0 -3.0532E- 2.1057E- 446 740 –

HYDROQU 0 03 06
INONE
507 C6H6O3 1,2,3- 68.242 8.7470E- -1.6146E- 1.1776E- 408 747 –

BENZENE 01 03 06
TRIOL
508 C6H6S PHENYL 58.539 7.8070E- -1.8817E- 1.9154E- 259 620 174.80
MERCAPT 01 03 06
AN
509 C6H7N ANILINE 63.288 9.8960E- -2.3583E- 2.3296E- 268 629 210.44
01 03 06
510 C6H7N 2- 72.116 6.2427E- -1.7202E- 2.0497E- 207 559 159.66

METHYLP 01 03 06
YRIDINE
511 C6H7N 3- 36.448 8.8379E- -2.2709E- 2.3843E- 256 581 161.28

METHYLP 01 03 06
YRIDINE
512 C6H7N 4- 13.736 1.1295E+0 -2.8466E- 2.8505E- 278 582 173.01

METHYLP 0 03 06
YRIDINE
513 C6H8 1,3- 70.721 4.7940E- -1.4750E- 2.1151E- 162 502 138.59
CYCLOHE 01 03 06
XADIENE
514 C6H8 METHYLC 59.202 7.4490E- -2.2926E- 2.9861E- 201 487 156.64
YCLOPEN 01 03 06
TADIENE
515 C6H8N2 ADIPONIT 57.459 6.4731E- -1.4099E- 1.2959E- 277 703 159.47
RILE 01 03 06
516 C6H8N2 METHYLG 85.906 8.6895E- -2.0198E- 2.1182E- 229 668 221.58
LUTARONI 01 03 06
TRILE
517 C6H8N2 m- 30.904 1.1114E+0 -2.2425E- 1.8053E- 335 742 –

PHENYLE 0 03 06
NEDIAMIN
E
518 C6H8N2 o- -56.502 1.6935E+0 -3.4068E- 2.6393E- 378 703 –

PHENYLE 0 03 06
NEDIAMIN
E
519 C6H8N2 p- -138.577 2.1251E+0 -4.0994E- 2.9816E- 414 716 –

PHENYLE 0 03 06
NEDIAMIN
E
520 C6H8N2 PHENYLH 39.493 9.8286E- -2.1853E- 1.9533E- 293 685 190.05
YDRAZINE 01 03 06
521 C6H8N2O BIS(CYAN 133.852 7.5737E- -1.6480E- 1.6110E- 248 705 255.86
OETHYL)E 01 03 06
THER
522 C6H8O4 DIMETHY 81.726 1.2265E+0 -3.0327E- 3.1301E- 255 608 260.78
L 0 03 06
MALEATE
523 C6H8O6 ASCORBIC -533.966 5.1304E+0 -9.5422E- 6.4843E- 466 705 –

ACID 0 03 06
524 C6H8O7 CITRIC -248.283 3.4707E+0 -6.4923E- 4.5716E- 427 740 –

ACID 0 03 06
525 C6H10 1- 130.320 -8.9159E- 4.8824E- – 147 379 147.14

METHYLC 02 04
YCLOPEN
TENE
526 C6H10 3- 122.081 -7.3410E- 4.6273E- – 131 373 141.33

METHYLC 02 04
YCLOPEN
TENE
527 C6H10 4- 124.412 -5.8681E- 4.4830E- – 113 378 146.77

METHYLC 02 04
YCLOPEN
TENE
528 C6H10 CYCLOHE 75.841 4.7761E- -1.4586E- 2.0271E- 171 504 142.31
XENE 01 03 06
529 C6H10 2,3- 63.063 9.0896E- -2.8708E- 3.8191E- 198 473 180.09
DIMETHY 01 03 06
L-1,3-
BUTADIEN
E
530 C6H10 1,5- 100.547 4.9449E- -1.6992E- 2.7799E- 133 456 170.61
HEXADIEN 01 03 06
E
531 C6H10 cis,trans- 78.343 7.2388E- -2.2889E- 3.1790E- 178 484 174.96
2,4- 01 03 06
HEXADIEN
E
532 C6H10 trans,trans 28.602 1.2039E+0 -3.6471E- 4.4353E- 229 482 180.89
-2,4- 0 03 06
HEXADIEN
E
533 C6H10 1-HEXYNE 107.406 5.6639E- -1.8970E- 2.9945E- 142 465 187.01
01 03 06
534 C6H10 2-HEXYNE 67.189 7.6877E- -2.3721E- 3.2155E- 185 494 170.76
01 03 06
535 C6H10 3-HEXYNE 82.692 6.3383E- -1.9955E- 2.8095E- 171 490 168.74
01 03 06
536 C6H10O CYCLOHE 68.641 8.6690E- -2.2835E- 2.4978E- 243 566 190.32
XANONE 01 03 06
537 C6H10O MESITYL 74.977 1.0107E+0 -2.8245E- 3.3225E- 221 540 213.30
OXIDE 0 03 06
538 C6H10O2 epsilon- 83.582 7.3015E- -1.5987E- 1.4942E- 273 694 198.77
CAPROLA 01 03 06
CTONE
539 C6H10O2 ETHYL 82.106 8.6863E- -2.5461E- 3.2089E- 201 519 199.81
METHACR 01 03 06
YLATE
540 C6H10O2 n-PROPYL 90.971 1.0073E+0 -2.9850E- 3.7890E- 201 512 226.37
ACRYLAT 0 03 06
E
541 C6H10O3 ETHYLAC 88.660 1.1455E+0 -2.9953E- 3.2993E- 235 579 251.36
ETOACET 0 03 06
ATE
542 C6H10O3 PROPIONI 83.119 1.0817E+0 -2.9281E- 3.3352E- 229 556 233.72
C 0 03 06
ANHYDRI
DE
543 C6H10O4 ADIPIC -190.095 2.9078E+0 -5.4871E- 3.8953E- 427 728 –

ACID 0 03 06
544 C6H10O4 DIETHYL 85.853 1.2371E+0 -3.1977E- 3.5605E- 234 581 264.80
OXALATE 0 03 06
545 C6H10O4 ETHYLEN 85.070 1.2494E+0 -3.2095E- 3.4466E- 243 586 263.61
E GLYCOL 0 03 06
DIACETAT
E
546 C6H10O4 ETHYLIDE -4.293 1.7964E+0 -4.4905E- 4.4158E- 293 572 249.15
NE 0 03 06
DIACETAT
E
547 C6H11N HEXANEN 110.589 7.9476E- -2.1997E- 2.7153E- 194 560 223.97
ITRILE 01 03 06
548 C6H11NO epsilon- 31.964 1.2526E+0 -2.5271E- 2.0436E- 343 725 –

CAPROLA 0 03 06
CTAM
549 C6H11NO CYCLOHE -54.389 1.8697E+0 -4.0224E- 3.3103E- 364 644 –

XANONE 0 03 06
OXIME
550 C6H12 CYCLOHE -44.417 1.6016E+0 -4.4676E- 4.7582E- 281 496 162.07
XANE 0 03 06
551 C6H12 2,3- 106.873 4.5993E- -1.6023E- 2.8074E- 117 450 175.97
DIMETHY 01 03 06
L-1-
BUTENE
552 C6H12 2,3- 51.122 9.7008E- -3.1012E- 4.0855E- 200 472 172.96
DIMETHY 01 03 06
L-2-
BUTENE
553 C6H12 3,3- 82.629 7.3199E- -2.5677E- 4.0169E- 159 432 179.09
DIMETHY 01 03 06
L-1-
BUTENE
554 C6H12 2-ETHYL- 91.019 5.6181E- -1.9133E- 3.0203E- 143 461 168.49
1-BUTENE 01 03 06
555 C6H12 trans-3- 151.557 -1.0557E- 6.1819E- – 136 374 175.03

METHYL- 01 04
2-
PENTENE
556 C6H12 1-HEXENE 100.785 5.4444E- -1.8726E- 3.0757E- 134 454 178.16
01 03 06
557 C6H12 cis-2- 96.557 5.0424E- -1.7178E- 2.7979E- 133 462 168.34
HEXENE 01 03 06
558 C6H12 trans-2- 97.745 5.6490E- -1.9080E- 3.0339E- 141 462 176.97
HEXENE 01 03 06
559 C6H12 cis-3- 99.597 5.4675E- -1.8640E- 3.0242E- 136 458 177.06
HEXENE 01 03 06
560 C6H12 trans-3- 86.524 7.3371E- -2.4616E- 3.7047E- 161 458 184.65
HEXENE 01 03 06
561 C6H12 METHYLC 92.280 3.9756E- -1.2966E- 2.0816E- 132 480 150.72
YCLOPEN 01 03 06
TANE
562 C6H12 2- 97.368 5.5769E- -1.9065E- 3.0787E- 138 456 175.77

METHYL- 01 03 06
1-
PENTENE
563 C6H12 2- 91.931 5.1877E- -1.7524E- 2.8016E- 139 463 165.07

METHYL- 01 03 06
2-
PENTENE
564 C6H12 3- 116.510 5.2150E- -1.8268E- 3.1737E- 121 446 193.72

METHYL- 01 03 06
1-
PENTENE
565 C6H12 3- 101.713 5.4538E- -1.8339E- 2.9283E- 139 464 178.90

METHYL- 01 03 06
cis-2-
PENTENE
566 C6H12 4- 97.695 4.3999E- -1.5403E- 2.6788E- 121 446 162.98

METHYL- 01 03 06
1-
PENTENE
567 C6H12 4- 95.360 5.5699E- -1.9260E- 3.1315E- 139 449 173.22

METHYL- 01 03 08
cis-2-
PENTENE
568 C6H12 4- 103.386 5.4752E- -1.8917E- 3.1298E- 133 451 181.42

METHYL- 01 03 06
trans-2-
PENTENE
569 C6H12N2 TRIETHYL -608.040 6.1246E+0 -1.0863E- 8.1963E- 435 590 –

ENEDIAMI 0 02 06
NE
570 C6H12O BUTYL 92.734 9.1734E- -2.9004E- 3.9872E- 182 482 214.09
VINYL 01 03 06
ETHER
571 C6H12O CYCLOHE -47.321 1.9131E+0 -4.8388E- 4.7281E- 298 563 218.25
XANOL 0 03 06
572 C6H12O 1- 88.621 9.1837E- -2.6499E- 3.1797E- 218 521 211.15

HEXANAL 01 03 06
573 C6H12O ETHYL 62.886 1.0637E+0 -3.1466E- 4.0376E- 201 510 207.32
ISOPROPY 0 03 06
L KETONE
574 C6H12O 2- 72.825 1.0372E+0 -2.9477E- 3.5365E- 218 528 213.77

HEXANON 0 03 06
E
575 C6H12O 3- 76.972 1.0374E+0 -2.9656E- 3.5648E- 219 525 217.14

HEXANON 0 03 06
E
576 C6H12O METHYL 96.284 8.5227E- -2.5379E- 3.3066E- 190 514 212.42
ISOBUTYL 01 03 06
KETONE
577 C6H12O2 n-PENTYL 93.856 1.0880E+0 -3.1818E- 4.0343E- 201 518 242.31
FORMATE 0 03 06
578 C6H12O2 n-BUTYL 91.175 9.9902E- -2.9032E- 3.6712E- 201 522 228.25
ACETATE 01 03 06
579 C6H12O2 sec- 111.023 8.6334E- -2.6280E- 3.6131E- 175 505 230.57
BUTYL 01 03 06
ACETATE
580 C6H12O2 tert- 93.486 1.0976E+0 -3.3694E- 4.3600E- 201 491 236.76
BUTYL 0 03 06
ACETATE
581 C6H12O2 ETHYL n- 117.263 8.2767E- -2.5104E- 3.3783E- 176 514 230.41
BUTYRAT 01 03 06
E
582 C6H12O2 ETHYL 93.347 8.6764E- -2.6632E- 3.5669E- 186 498 209.83
ISOBUTYR 01 03 06
ATE
583 C6H12O2 ISOBUTYL 118.616 8.2730E- -2.5236E- 3.4564E- 175 505 232.55
ACETATE 01 03 06
584 C6H12O2 n-PROPYL 94.198 9.6107E- -2.8068E- 3.5722E- 198 520 225.91
PROPION 01 03 06
ATE
585 C6H12O2 CYCLOHE 86.532 9.6569E- -2.3547E- 2.419BE- 254 617 229.27
XYL 01 03 06
PEROXIDE
586 C6H12O2 DIACETO 88.803 1.0612E- -2.9263E- 3.3398E- 230 545 233.58
NE 00 03 06
ALCOHOL
587 C6H12O2 2-ETHYL 60.533 1.3454E+0 -3.3834E- 3.5251E- 259 590 254.32
BUTYRIC 0 03 06
ACID
588 C6H12O2 n- 72.281 1.3529E+0 -3.3288E- 3.3399E- 271 600 268.25

HEXANOI 0 03 06
C ACID
589 C6H12O3 2- 78.294 1.2284E+0 -3.4999E- 4.2007E- 212 537 244.75

ETHOXYE 0 03 06
THYL
ACETATE
590 C6H12O3 HYDROXY -15.705 2.0081E+0 -4.2865E- 3.6022E- 335 682 –

CAPROIC 0 03 06
ACID
591 C6H12O3 PARALDE -47.948 2.2916E+0 -6.1330E- 6.3645E- 287 521 258.78
HYDE 0 03 06
592 C6H12O3 sec- – – – – – – –

BUTYL
GLYCOLA
TE
593 C6H12S THIACYCL 202.732 -2.1939E- 5.5270E- – 293 445 186.45

OHEPTAN 01 04
E
594 C6H13N CYCLOHE 42.828 1.2896E+0 -3.3783E- 3.6184E- 256 554 216.95
XYLAMIN 0 03 06
E
595 C6H13N HEXAMET 76.226 1.0918E+0 -2.9610E- 3.3029E- 237 554 226.08
HYLENEI 0 03 06
MINE
596 C6H14 2,2- 74.689 8.4782E- -2.9059E- 4.2664E- 175 440 182.23
DIMETHY 01 03 06
LBUTANE
597 C6H14 2,3- 96.237 6.1920E- -2.1286E- 3.3611E- 146 450 181.25
DIMETHY 01 03 06
LBUTANE
598 C6H14 n-HEXANE 78.848 8.8729E- -2.9482E- 4.1999E- 179 457 192.63
01 03 06
599 C6H14 2- 110.129 5.0521E- -1.7675E- 3.0660E- 121 448 184.90

METHYLP 01 03 06
ENTANE
600 C6H14 3- 114.180 4.4292E- -1.5358E- 2.7258E- 111 454 181.96

METHYLP 01 03 06
ENTANE
601 C6H14N2 LYSINE -483.631 4.3645E+0 -7.7810E- 5.0707E- 484 739 –

O2 0 03 06
602 C6H14O 2-ETHYL- 158.546 7.1200E- -2.1451E- 2.9921E- 160 522 259.44
1- 01 03 06
BUTANOL
603 C6H14O 1- 89.086 9.4770E- -2.5912E- 2.9524E- 230 550 219.55

HEXANOL 01 03 06
604 C6H14O 2- 85.019 1.1847E+0 -3.3647E- 3.9685E- 224 528 244.31

HEXANOL 0 03 06
605 C6H14O 2- 110.923 1.0917E+0 -3.1733E- 3.9840E- 201 524 259.91

METHYL- 0 03 06
1-
PENTANO
L
606 C6H14O 4- 107.198 1.0434E+0 -3.0591E- 3.8693E- 201 517 248.90

METHYL- 0 03 06
2-
PENTANO
L
607 C6H14O n-BUTYL 107.841 8.7979E- -2.8249E- 4.0279 E- 171 478 225.79
ETHYL 01 03 06
ETHER
608 C6H14O DIISOPRO 73.085 1.1235E+0 -3.7356E- 5.2200E- 189 450 214.32
PYL 0 03 06
ETHER
609 C6H14O DI-n- 121.584 7.057 3E- -2.2937E- 3.4752E- 151 478 220.21
PROPYL 01 03 06
ETHER
610 C6H14O METHYL 72.866 1.1193E+0 -3.4929E- 4.5718E- 201 481 217.28
tert- 0 03 06
PENTYL
ETHER
611 C6H14O2 ACETAL 116.186 8.9191E- -2.8062E- 3.9321E- 174 487 236.87
01 03 06
612 C6H14O2 2- 141.017 1.0449E+0 -2.9601E- 3.6163E- 204 540 285.26

BUTOXYE 0 03 06
THANOL
613 C6H14O2 1,6- -49.791 2.5975E+0 -6.1380E- 5.6286E- 316 603 –

HEXANEDI 0 03 06
OL
614 C6H14O2 HEXYLEN 148.666 1.3168E+0 -3.5373E- 4.0785E- 224 559 334.92
E GLYCOL 0 03 06
615 C6H14O2 DI-n- 69.312 1.3810E+0 -2.9794E- 2.6512E- 304 687 –

S PROPYL 0 03 08
SULFONE
616 C6H14O3 DIETHYLE 118.254 1.1127E+0 -3.1346E- 3.8297E- 204 544 272.85
NE 0 03 06
GLYCOL
DIMETHY
L ETHER
617 C6H14O3 DIPROPYL 144.536 1.3978E+0 -3.5903E- 3.9399E- 234 589 346.58
ENE 0 03 06
GLYCOL
618 C6H14O3 2-(2- 156.817 1.0470E+0 -2.8479E- 3.4688E- 196 569 307.75
ETHOXYE 0 03 06
THOXY)ET
HANOL
619 C6H14O3 TRIMETH 111.221 1.8370E- -4.1267E- 3.5496E- 332 638 –

YLOLPRO K50 03 06
PANE
620 C6H14O4 TRIETHYL 162.233 1.2720E+0 -3.0443E- 2.9863E- 267 630 350.02
ENE 0 03 06
GLYCOL
621 C6H14O6 SORBITOL 106.032 9.4243E- -1.6484E- 1.1669E- 372 863 –

01 03 06
622 C6H14S n- 100.678 8.7864E- -2.3740E- 2.9901E- 194 561 230.85

HEXYLME 01 03 06
RCAPTAN
623 C6H14S BUTYL- 219.696 -1.6716E- 6.9631E- – 179 447 231.75

ETHYL- 01 04
SULFIDE
624 C6H14S ISOPROPY 188.855 -1.3921E- 6.2212E- – 171 423 202.65

L-SULFIDE 01 04
625 C6H14S METHYL- 200.445 -1.5811E- 6.6107E- – 180 431 212.07

PENTYL- 01 O4
SULFIDE
626 C6H14S PROPYL- 209.800 -1.4776E- 6.5195E- – 171 446 223.70

SULFIDE 01 04
627 C6H14S2 PROPYL- 240.406 -1.4485E- 5.8815E- – 189 495 249.50

DISULFIDE 01 04
628 C6H15Al TRIETHYL 181.059 3.0401E- -4.3637E- 5.8165E- 222 648 248.32
ALUMINU 01 04 07
M
629 C6H15Al2 ETHYL – – – – – – –

Cl3 ALUMINU
M
SESQUICH
LORIDE
630 C6H15N DIISOPRO 100.043 9.8366E- -3.1982E- 4.4920E- 178 471 228.07
PYLAMIN 01 03 06
E
631 C6H15N DI-n- 73.211 1.1938E+0 -3.5867E- 4.4751E- 211 500 228.92
PROPYLA 0 03 06
MINE
632 C6H15N n- 40.666 1.7414E+0 -4.8489E- 5.3464E- 253 525 270.51

HEXYLAM 0 03 06
INE
633 C6H15N TRIETHYL 114.243 7.0577E- -2.2590E- 3.3247E- 159 482 211.97
AMINE 01 03 06
634 C6H15NO 6- -49.170 2.0330E+0 -4.6707E- 4.1372E- 332 613 –

AMINOHE 0 03 06
XANOL
635 C6H15NO DIISOPRO -9.455 2.3765E+0 -5.6088E- 5.0712E- 319 605 –

2 PANOLAM 0 03 06
INE
636 C6H15NO TRIETHAN 179.047 1.2436E+0 -2.6631E- 2.3379E- 295 708 375.06
3 OLAMINE 0 03 06
637 C6H15N3 N- 120.025 1.0923E+0 -2.5872E- 2.6128E- 255 637 284.95

AMINOET 0 03 06
HYL
PIPERAZI
NE
638 C6H15O4 TRIETHYL – – – – – – –

P PHOSPHA
TE
639 C6H16N2 HEXAMET -6.944 2.04956+0 -4.8605E- 4.4981E- 315 597 –

HYLENEDI 0 03 06
AMINE
640 C6H18N3 HEXAMET – – – – – – –

OP HYL
PHOSPHO
RAMIDE
641 C6H18N4 TRIETHYL 91.558 1.7020E+0 -3.9120E- 3.6870E- 286 646 348.98
ENE 0 03 06
TETRAMI
NE
642 C6H18OSi HEXAMET 85.588 1.7918E+0 -5.6915E- 7.4549E- 206 467 311.44
2 HYLDISIL 0 03 06
OXANE
643 C6H18O3 HEXAMET -537.133 6.8511E+0 -1.7801E- 1.6878E- 338 499 –

Si3 HYLCYCL 0 02 05
OTRISILO
XANE
644 C6H19NSi HEXAMET 97.027 1.3771E+0 -4.2362E- 5.4945E- 201 490 276.68
2 HYLDISIL 0 03 06
AZANE
645 C7H3ClF3 4- – – – – – – –
NO2 CHLORO-
3-
NITROBE
NZOTRIFL
UORIDE
646 C7H3Cl2F 2,4- 87.398 1.2515E+0 -3.2297E- 3.4450E- 249 581 244.74
3 DICHLOR 0 03 06
OBENZOT
RIFLUORI
DE
647 C7H3Cl2N 3,4- 13.155 1.3501E+0 -2.9951E- 2.6326E- 317 660 –

O DICHLOR 0 03 06
OPHENYL
ISOCYAN
ATE
648 C7H4ClF3 p- 62.232 1.1478E+0 -3.1490E- 3.5615E- 238 541 218.90

CHLOROB 0 03 06
ENZOTRIF
LUORIDE
649 C7H4Cl2O m- 57.810 9.7855E- -2.2472E- 2.1291E- 281 652 206.23

CHLOROB 01 03 06
ENZOYL
CHLORIDE
650 C7H4F3N 3- – – – – – – –
O2 NITROBE
NZOTRIFL
UORIDE
651 C7H5ClO BENZOYL 52.817 8.6263E- -2.0473E- 2.0049E- 274 627 181.15
CHLORIDE 01 03 06
652 C7H5ClO2 o- -195.279 2.4870E+0 -4.8165E- 3.4930E- 416 713 –

CHLOROB 0 03 06
ENZOIC
ACID
653 C7H5Cl3 BENZOTRI 80.853 8.6290E- -1.9659E- 1.8902E- 269 663 213.47
CHLORIDE 01 03 06
654 C7H5F3 BENZOTRI 22.859 1.2863E+0 -3.6796E- 4.2076E- 245 509 190.80
FLUORIDE 0 03 06
655 C7H5N BENZONIT 60.009 8.1051E- -1.9418E- 1.9429E- 261 629 180.55
RILE 01 03 06
656 C7H5NO PHENYL 57.143 7.8666E- -2.0256E- 2.1812E- 244 583 169.43
ISOCYAN 01 03 06
ATE
657 C7H5N3O 2,4,6- 21.181 1.7159E+0 -3.4629E- 2.7647E- 355 716 –

6 TRINITRO 0 03 06
TOLUENE
658 C7H6Cl2 BENZYL 74.474 7.3936E- -1.6958E- 1.6858E- 258 658 188.85
DICHLORI 01 03 06
DE
659 C7H6Cl2 2,4- 46.183 5.4112E- -1.2859E- 1.2850E- 261 635 127.27
DICHLOR 01 03 08
OTOLUEN
E
660 C7H6N2O 2,4- 6.605 1.4730E+0 -2.9647E- 2.3797E- 344 733 –

4 DINITROT 0 03 06
OLUENE
661 C7H6N2O 2,5- – – – – – – –

4 DINITROT
OLUENE
662 C7H6N2O 2,6- – – – – – – –

4 DINITROT
OLUENE
663 C7H6N2O 3,4- – – – – – – –

4 DINITROT
OLUENE
664 C7H6N2O 3,5- – – – – – – –

4 DINITROT
OLUENE
665 C7H6O BENZALD 72.865 7.0427E- -1.7065E- 1.7622E- 248 626 177.85
EHYDE 01 03 06
666 C7H6O2 BENZOIC -158.917 2.3735E+0 -4.8280E- 3.6876E- 397 676 –

ACID 0 03 06
667 C7H6O2 p- -6.120 1.2887E+0 -2.4382E- 1.7829E- 391 760 –

HYDROXY 0 03 06
BENZALD
EHYDE
668 C7H6O2 SALICYLA 72.299 1.1065E+0 -2.7015E- 2.6999E- 267 612 233.61
LDEHYDE 0 03 06
669 C7H6O3 SALICYLIC – – – – – – –

ACID
670 C7H7Br p- 22.692 1.1392E+0 -2.6347E- 2.4503E- 301 629 –

BROMOTO 0 03 06
LUENE
671 C7H7Cl BENZYL 82.217 7.0948E- -1.7551E- 1.8744E- 235 617 187.41
CHLORIDE 01 03 06
672 C7H7Cl o- 82.902 7.9838E- -2.0378E- 2.2156E- 238 590 198.51

CHLOROT 01 03 06
OLUENE
673 C7H7Cl p- 34.924 1.1405E+0 -2.8001E- 2.7683E- 282 594 199.43

CHLOROT 0 03 06
OLUENE
674 C7H7F p- 145.658 -1.5813E- 5.2841E- – 217 420 145.48

FLUOROT 01 04
OLUENE
675 C7H7NO FORMANI 31.885 1.1692E+0 -2.4418E- 2.0593E- 324 708 –

LIDE 0 03 06
676 C7H7NO2 m- 33.670 9.9886E- -2.2718E- 2.0913E- 290 661 184.96

NITROTOL 01 03 06
UENE
677 C7H7NO2 o- 45.732 8.8396E- -2.0735E- 1.9967E- 271 648 177.89

NITROTOL 01 03 06
UENE
678 C7H7NO2 p- -3.381 1.0676E+0 -2.3531E- 2.0262E- 326 662 –

NITROTOL 0 03 06
UENE
679 C7H7NO3 o- 92.024 1.0466E+0 -2.2554E- 2.0464E- 285 704 257.81

NITROANI 0 03 06
SOLE
680 C7H8 TOLUENE 83.703 5.1666E- -1.4910E- 1.9725E- 179 533 157.49
01 03 06
681 C7H8 1,3,5- 183.184 -1.6155E- 6.2287E- – 195 419 190.37

CYCLOHE 01 04
PTATRIEN
E
682 C7H8O ANISOLE 77.223 8.8434E- -2.3076E- 2.5370E- 237 577 203.00
01 03 06
683 C7H8O BENZYL 97.570 8.6633E- -2.1388E- 2.1700E- 259 609 223.25
ALCOHOL 01 03 06
684 C7H8O m- 78.436 1.0457E+0 -2.4251E- 2.3031E- 286 635 235.69

CRESOL 0 03 06
685 C7H8O o-CRESOL 51.055 1.1941E+0 -2.7297E- 2.5339E- 305 628 –

0 03 06
686 C7H8O p-CRESOL 40.620 1.2687E+0 -2.8630E- 2.6374E- 309 634 –

0 03 06
687 C7H8O2 GUAIACOL 22.222 1.2061E+0 -2.7948E- 2.5675E- 306 627 –

0 03 06
688 C7H8O2 p- 30.813 1.2814E+0 -2.7284E- 2.3197E- 330 682 –

METHOXY 0 03 06
PHENOL
689 C7H9N BENZYLA 157.089 4.3487E- -1.0951E- 1.1698E- 228 615 220.40
MINE 01 03 06
690 C7H9N 2,6- 58.073 1.0059E+0 -2.5953E- 2.7069E- 268 561 193.01
DIMETHY 0 03 06
LPYRIDIN
E
691 C7H9N N- 108.2B5 6.1464E- -1.5202E- 1.6582E- 217 831 200.35

METHYLA 01 03 06
NILINE
692 C7H9N m- 91.578 8.1400E- -1.9600E- 2.0129E- 244 638 213.39

TOLUIDIN 01 03 06
E
693 C7H9N o- 84.427 9.0250E- -2.2050E- 2.2526E- 250 625 217.20

TOLUIDIN 01 03 06
E
694 C7H9N p- -12.448 1.4992E+0 -3.4632E- 3.1091E- 318 624 –

TOLUIDIN 0 03 06
E
695 C7H10 2- -111.267 2.0246E+0 -5.2173E- 5.0164E- 320 525 –

NORBORN 0 03 06
ENE
696 C7H10N2 TOLUENE -32.164 1.7865E+0 -3.5394E- 2.7332E- 372 724 –

DIAMINE 0 03 06
697 C7H11NO CYCLOHE 105.949 8.0902E- -2.1979E- 2.8405E- 201 570 221.76
XYL 01 03 06
ISOCYAN
ATE
698 C7H12 1- 210.215 -2.0548E- 7.9111E- – 193 403 219.27

HEPTYNE 01 04
699 C7H12O2 n-BUTYL 101.239 1.1519E+0 -3.2414E- 3.9463E- 210 538 261.14
ACRYLAT 0 03 06
E
700 C7H12O2 ISOBUTYL 95.067 1.1903E+0 -3.4348E- 4.1928E- 213 522 255.76
ACRYLAT 0 03 06
E
701 C7H12O2 n-PROPYL 88.969 7.9514E- -2.2583E- 2.7936E- 201 539 199.33
METHACR 01 03 06
YLATE
702 C7H12O4 DIETHYL 116.141 1.1953E+0 -3.0852E- 3.4713E- 225 588 290.26
MALONAT 0 03 06
E
703 C7H14 CYCLOHE 22.309 1.2050E+0 -3.2051E- 3.3996E- 266 544 187.27
PTANE 0 03 06
704 C7H14 1,1- 67.646 9.0042E- -2.7291E- 3.5161E- 204 492 186.70
DIMETYLC 01 03 06
YCLOPEN
TANE
705 C7H14 cis-1,2- 59.555 9.7636E- -2.8547E- 3.4670E- 220 509 188.78
DIMETHY 01 03 06
LCYCLOP
ENTANE
706 C7H14 trans-1,2- 97.923 5.4369E- -1.6777E- 2.4600E- 157 498 176.09
DIMETHY 01 03 06
LCYCLOP
ENTANE
707 C7H14 cis-1,3- 111.592 5.0848E- -1.5795E- 2.4410E- 140 496 187.48
DIMETHY 01 03 06
LCYCLOP
ENTANE
708 C7H14 trans-1,3- 108.553 4.7295E- -1.4677E- 2.2606E- 140 498 179.01
DIMETHY 01 03 06
LCYCLOP
ENTANE
709 C7H14 ETHYLCY 109.808 4.1311E- -1.2645E- 1.9260E- 136 513 171.61
CLOPENT 01 03 06
ANE
710 C7H14 2-ETHYL- 117.859 7.4247E- -2.3420E- 3.3135E- 169 489 218.86
1- 01 03 06
PENTENE
711 C7H14 3-ETHYL- 135.633 5.7239E- -1.8716E- 2.8576E- 147 477 215.65
1- 01 03 06
PENTENE
712 C7H14 1- 114.317 6.7244E- -2.1649E- 3.2064E- 155 484 207.34

HEPTENE 01 03 06
713 C7H14 cis-2- 99.819 7.4221E- -2.3369E- 3.3278E- 165 494 201.57
HEPTENE 01 03 06
714 C7H14 trans-2- 108.115 7.3356E- -2.3190E- 3.3308E- 185 489 208.96
HEPTENE 01 03 06
715 C7H14 cis-3- 121.609 5.7886E- -1.8604E- 2.8850E- 138 491 205.49
HEPTENE 01 03 06
716 C7H14 trans-3- 122.104 5.8756E- -1.8271E- 2.8571E- 138 486 204.63
HEPTENE 01 03 06
717 C7H14 METHYLC 103.668 4.6217E- -1.3973E- 2.0550E- 148 515 171.72
YCLOHEX 01 03 06
ANE
718 C7H14 2- 106.364 8.2847E- -2.6235E- 3.7203E- 171 484 218.76

METHYL- 01 03 06
1-HEXENE
719 C7H14 3- 123.572 6.4499E- -2.1072E- 3.2509E- 146 475 214.72

METHYL- 01 03 06
1-HEXENE
720 C7H14 4- 123.548 5.3447E- -1.7377E- 2.7783E- 133 481 202.07

METHYL- 01 03 06
1-HEXENE
721 C7H14 2,3,3- 110.303 7.4985E- -2.4008E- 3.5056E- 164 478 213.37
TRIMETH 01 03 06
YL-1-
BUTENE
722 C7H14O DIISOPRO 85.991 1.1369E+0 -3.3568E- 4.1558E- 206 518 236.71
PYL 0 03 06
KETONE
723 C7H14O 2- 65.391 1.2723E+0 -3.4343E- 3.8550E- 239 550 241.60

HEPTANO 0 03 06
NE
724 C7H14O 1- 79.243 1.2338E+0 -3.3958E- 3.8988E- 231 543 248.52

HEPTANA 0 03 06
L
725 C7H14O 1- -150.105 3.0109E+0 -7.7992E- 7.7061E- 300 543 –

METHYLC 0 03 06
YCLOHEX
ANOL
726 C7H14O cis-2- 2.842 1.9243E+0 -5.0271E- 5.0869E- 281 553 264.51
METHYLC 0 03 06
YCLOHEX
ANOL
727 C7H14O trans-2- 43.292 1.6245E+0 -4.2799E- 4.4220E- 270 554 264.39
METHYLC 0 03 06
YCLOHEX
ANOL
728 C7H14O cis-3- 6.519 1.8769E+0 -4.9328E- 5.1346E- 269 556 263.71
METHYLC 0 03 06
YCLOHEX
ANOL
729 C7H14O trans-3- 44.409 1.6304E+0 -4.2749E- 4.3796E- 274 555 266.59
METHYLC 0 03 06
YCLOHEX
ANOL
730 C7H14O cis-4- 135.271 9.0905E- -2.4855E- 3.0226E- 201 560 265.47
METHYLC 01 03 06
YCLOHEX
ANOL
731 C7H14O trans-4- 134.634 9.4209E- -2.6118E- 3.1477E- 201 560 268.77
METHYLC 01 03 06
YCLOHEX
ANOL
732 C7H14O 5- 106.371 9.1613E- -2.5950E- 3.2112E- 200 541 233.94

METHYL- 01 03 06
2-
HEXANON
E
733 C7H14O2 n-BUTYL 128.652 8.9746E- -2.5942E- 3.3614E- 185 535 254.71
PROPION 01 03 06
ATE
734 C7H14O2 ETHYL 137.705 8.3648E- -2.4502E- 3.2777E- 175 529 256.17
ISOVALER 01 03 06
ATE
735 C7H14O2 ISOPENTY 119.930 9.5880E- -2.7166E- 3.4200E- 196 539 254.95
L 01 03 06
ACETATE
736 C7H14O2 n-PENTYL 117.364 1.0496E+0 -2.9677E- 3.6617E- 203 538 263.54
ACETATE 0 03 06
737 C7H14O2 n-PROPYL 135.799 8.6257E- -2.4884E- 3.2841E- 179 535 258.81
n- 01 03 06
BUTYRAT
E
738 C7H14O2 n- 72.739 1.3618E+0 -3.3044E- 3.3289E- 267 612 273.24

HEPTANO 0 03 06
IC ACID
739 C7H14O3 ETHYL-3- 123.353 1.1571E+0 -3.2169E- 3.9748E- 201 548 287.73
ETHOXYP 0 03 06
ROPIONA
TE
740 C7H15Br 1- 118.794 8.6306E- -2.2453E- 2.5620E- 218 586 244.42

BROMOHE 01 03 06
PTANE
741 C7H15N N- 39.040 1.4458E+0 -3.7690E- 3.9502E- 266 560 239.76

METHYLC 0 03 06
YCLOHEX
YLAMINE
742 C7H16 2,2- 115.052 6.5774E- -2.1698E- 3.3303E- 150 468 206.54
DIMETHY 01 03 06
LPENTAN
E
743 C7H16 2,3- 85.488 9.3231E- -2.8826E- 3.7624E- 201 484 206.92
DIMETHY 01 03 06
LPENTAN
E
744 C7H16 2,4- 118.526 7.0061E- -2.3161E- 3.4981E- 155 468 214.24
DIMETHY 01 03 06
LPENTAN
E
745 C7H16 3,3- 118.692 6.0252E- -1.9340E- 3.0327E- 140 483 206.79
DIMETHY 01 03 06
LPENTAN
E
746 C7H16 3- 116.451 7.0991E- -2.2627E- 3.3492E- 156 487 215.74

ETHYLPE 01 03 06
NTANE
747 C7H16 n- 101.121 9.7739E- -3.0712E- 4.1844E- 184 486 230.42

HEPTANE 01 03 06
748 C7H16 2- 118.184 7.1284E- -2.3129E- 3.4493E- 156 477 216.53

METHYLH 01 03 06
EXANE
749 C7H16 3- 126.861 8.4079E- -2.0615E- 3.0647E- 155 482 215.88

METHYLH 01 03 06
EXANE
750 C7H16 2,2,3- 0.826 1.7037E+0 -5.0650E- 5.8856E- 250 478 214.52
TRIMETH 0 03 06
YLBUTAN
E
751 C7H16O 1- 93.968 1.1999E+0 -3.1629E- 3.4722E- 240 569 262.58

HEPTANO 0 03 06
L
752 C7H16O 2- 77.603 1.6101E+0 -4.4836E- 5.0303E- 244 529 292.41

HEPTANO 0 03 06
L
753 C7H16O 5- 110.967 1.1814E+0 -3.3055E- 4.1023E- 201 545 278.10

METHYL- 0 03 06
1-
HEXANOL
754 C7H16O ISOPROPY 218.409 -2.0906E- 8.5669E- – 179 409 232.23

L-TERT- 01 04
BUTYL-
ETHER
755 C7H16S n-HEPTYL 108.046 1.0802E+0 -2.7997E- 3.1263E- 231 581 264.09
MERCAPT 0 03 06
AN
756 C7H16S BUTYL- 263.202 -2.1538E- 7.5760E- – 208 474 266.33

PROPYL- 01 04
SULFIDE
757 C7H16S ETHYL- 264.004 -2.3234E- 8.0486E- – 208 474 266.28

PENTYL- 01 04
SULFIDE
758 C7H16S HEXYL- 264.004 -2.3234E- 8.0486E- – 208 474 266.28

METHYL- 01 04
SULFIDE
759 C7H17N 1- 48.454 1.5927E+0 -4.2895E- 4.6302E- 255 546 264.72

AMINOHE 0 03 06
PTANE
760 C8H4Cl2O ISOPHTH 44.675 1.2944E+0 -2.7615E- 2.3807E- 318 691 –

2 ALOYL 0 03 06
CHLORIDE
761 C8H4O3 PHTHALIC -105.627 1.9840E+0 -3.8847E- 2.8513E- 405 712 –

ANHYDRI 0 03 06
DE
762 C8H6 ETHYNYL 183.372 -1.6806E- 5.1645E- – 244 448 179.17

BENZENE 01 04
763 C8H6O4 ISOPHTH – – – – – – –

ALIC ACID
764 C8H6O4 PHTHALIC – – – – – – –

ACID
765 C8H6O4 TEREPHT – – – – – – –

HALIC
ACID
766 C8H6S BENZOTHI 36.583 1.0240E+0 -2.2186E- 1.9892E- 306 679 –

OPHENE 0 03 06
767 C8H7N INDOLE 87.722 7.6976E- -1.6788E- 1.5257E- 275 711 208.42
01 03 06
768 C8H8 STYRENE 66.737 8.4051E- -2.1615E- 2.3324E- 244 583 187.00
01 03 06
769 C8H8 1,3,5,7- 236.513 -2.7092E- 7.3503E- – 267 443 221.08

CYCLOOC 01 04
TATETRA
ENE
770 C8H8O ACETOPH 30.911 1.1353E+0 -2.6405E- 2.4764E- 295 631 200.32
ENONE 0 03 06
771 C8H8O p- 119,664 6.2791E- -1.5631E- 1.7837E- 201 628 215.20

TOLUALD 01 03 06
EHYDE
772 C8H8O2 METHYL 65.554 1.0124E+0 -2.4553E- 2.4559E- 262 624 214.24
BENZOAT 0 03 06
E
773 C8H8O2 o-TOLUIC -106.856 2.1576E+0 -4.4616E- 3.5101E- 378 676 –

ACID 0 03 06
774 C8H8O2 p-TOLUIC -409.886 3.7262E+0 -7.0801E- 4.9079E- 454 696 –

ACID 0 03 06
775 C8H8O3 METHYL 97.902 1.0367E+0 -2.4663E- 2.4373E- 266 631 252.34
SALICYLA 0 03 06
TE
776 C8H8O3 VANILLIN -8.950 1.7876E+0 -3.6684E- 2.9525E- 356 699 –

0 03 06
777 C8H9NO ACETANIL -54.663 1.7295E+0 -3.3303E- 2.4823E- 388 743 –

IDE 0 03 06
778 C8H10 ETHYLBE 102.111 5.5959E- -1.5609E- 2.0149E- 179 555 183.60
NZENE 01 03 06
779 C8H10 m- 70.916 8.0450E- -2.1885E- 2.5061E- 226 555 182.66

XYLENE 01 03 06
780 C8H10 o-XYLENE 56.460 9.4926E- -2.4902E- 2.6838E- 249 567 189.25
01 03 06
781 C8H10 p-XYLENE -11.035 1.5158E+0 -3.9039E- 3.9193E 287 555 197.75
0 03 06
782 C8H10O m- – – – – – – –
ETHYLPH
ENOL
783 C8H10O p- 22.135 1.4685E+0 -3.2860E- 2.9185E- 319 645 –

ETHYLPH 0 03 06
ENOL
784 C8H10O PHENETO 72.026 1.0392E+0 -2.6794E- 2.8834E- 245 582 220.11
LE 0 03 06
785 C8H10O 2- 80.595 1.0256E+0 -2.5190E- 2.6273E- 248 616 232.08

PHENYLE 0 03 06
THANOL
786 C8H10O 2,3- -2.686 1.6455E+0 -3.5635E- 3.0090E- 347 651 –

XYLENOL 0 03 06
787 C8H10O 2,4- 60.600 1.2899E+0 -2.9766E- 2.7446E- 299 637 253.34
XYLENOL 0 C3 06
788 C8H10O 2,5- -38.995 1.8247E+0 -4.0078E- 3.4037E- 349 636 –

XYLENOL 0 03 06
789 C8H10O 2,6- 25.237 1.4346E+0 -3.2504E- 2.9149E- 320 631 –

XYLENOL 0 03 06
790 C8H10O 3,4- 15.704 1.5867E+0 -3.4378E- 2.9258E- 339 657 –

XYLENOL 0 03 06
791 C8H10O 3,5- -53.263 2.0930E+0 -4.6697E- 3.9694E- 338 644 –

XYLENOL 0 03 06
792 C8H11N N,N- 60.597 1.2244E+0 -2.9639E- 2.8755E- 277 618 238.40
DIMETHY 0 03 06
LANILINE
793 C8H11N o- 124.722 8.4471E- -2.0522E- 2.1995E- 228 634 252.44

ETHYLANI 01 03 06
LINE
794 C8H11N 2,4,6- 96.356 9.5429E- -2.4678E- 2.7316E- 230 588 233.90
TRIMETH 01 03 06
YLPYRIDI
NE
795 C8H11NO p- 94.612 1.1123E+0 -2.4776E- 2.3162E- 278 679 267.40

PHENETID 0 03 06
INE
796 C8H12 1,5- 95.884 7.9280E- -2.0764E- 2.4825E- 205 581 213.56
CYCLOOC 01 03 06
TADIENE
797 C8H12 VINYLCYC 120.647 5.8357E- -1.6847E- 2.2935E- 165 539 205.67
LOHEXEN 01 03 06
E
798 C8H12O4 1,4- -1442.953 8.3711E+0 -1.3146E- 7.3187E- 587 800 –

CYCLOHE 0 02 06
XANEDICA
RBOXYLIC
ACID
799 C8H12O4 DIETHYL 93.009 1.3593E+0 -3.2053E- 3.3253E- 265 612 296.15
MALEATE 0 O3 06
800 C8H14O2 n-BUTYL 135.373 1.0816E+0 -2.9999E- 3.8584E- 201 554 288.13
METHACR 0 03 06
YLATE
K)
801 C8H14O3 BUTYRIC 152.823 1.0158E+0 -2.7247E- 3.2640E- 201 575 299.98
ANHYDRI 0 03 06
DE
802 C8H14O4 DIETHYL 102.038 1.5936E+0 -4.0077E- 4.2022E- 253 594 332.29
SUCCINA 0 03 06
TE
803 C8H16 CYCLOOC 277.940 -3.5205E- 8.6774E- – 289 454 250.11

TANE 01 04
804 C8H16 1,1- 45.883 1.2604E+0 -3.5092E- 3.9654E- 241 532 214.81
DIMETHY 0 03 06
LCYCLOH
EXANE
805 C8H16 cis-1,2- 73.911 1.0319E+0 -2.8669E- 3.3195E- 224 546 214.71
DIMETHY 0 03 06
LCYCLOH
EXANE
806 C8H16 trans-1,2- 106.382 7.2688E- -2.1051E- 2.7007E- 186 537 207.55
DIMETHY 01 03 06
LCYCLOH
EXANE
807 C8H16 cis-1,3- 93.200 8.4033E- -2.4187E- 3.0292E- 199 532 209.02
DIMETHY 01 03 06
LCYCLOH
EXANE
808 C8H16 trans-1,3- 104.906 7.5947E- -2.1970E- 2.8318E- 184 538 211.09
DIMETHY 01 03 06
LCYCLOH
EXANE
809 C8H16 cis-1,4- 103.345 7.7049E- -2.2240E- 2.8466E- 187 538 210.81
DIMETHY 01 03 06
LCYCLOH
EXANE
810 C8H16 trans-1,4- 55.054 1.1928E+0 -3.3306E- 3.7992E- 237 531 215.30
DIMETHY 0 03 06
LCYCLOH
EXANE
811 C8H16 ETHYLCY 122.282 5.5767E- -1.6020E- 2.1615E- 163 548 203.43
CLOHEXA 01 03 06
NE
812 C8H16 2-ETHYL- 108.803 9.8631E- -2.8315E- 3.6361E- 201 517 247.34
1-HEXENE 01 03 06
813 C8H16 1- 149.266 5.2569E- -1.5767E- 2.4130E- 130 524 225.79

METHYL- 01 03 06
1-
ETHYLCY
CLOPENT
ANE
814 C8H16 1-OCTENE 119.984 8.3332E- -2.5321E- 3.4745E- 172 510 235.43
01 03 06
815 C8H16 trans-2- 115.221 9.4317E- -2.7955E- 3.6582E- 186 519 244.88
OCTENE 01 03 06
816 C8H16 trans-3- 132.009 7.7295E- -2.3321E- 3.2525E- 164 517 241.36
OCTENE 01 03 06
817 C8H16 trans-4- 118.777 8.9091E- -2.6659E- 3.5593E- 180 516 241.75
OCTENE 01 03 06
818 C8H16 n- 128.599 5.5399E- -1.5899E- 2.2092E- 157 543 211.99

PROPYLC 01 03 06
YCLOPEN
TANE
819 C8H16 2,4,4- 105.466 8.7518E- -2.6953E- 3.6641E- 1B1 498 223.91
TRIMETH 01 03 06
YL-1-
PENTENE
820 C8H16 2,4,4- 119.011 7.8648E- -2.4252E- 3.4004E- 168 502 228.04
TRIMETH 01 03 06
YL-2-
PENTENE
821 C8H16O 2- 119.983 1.0588E+0 -2.9787E- 3.6578E- 201 546 267.84

ETHYLHE 0 03 06
XANAL
822 C8H16O 1- 98.815 1.2933E+0 -3.4387E- 3.7391E- 247 559 277.82

OCTANAL 0 03 06
823 C8H16O 2- 65.104 1.5004E+0 -3.9364E- 4.2336E- 254 562 274.72

OCTANON 0 03 06
E
824 C8H16O2 n-BUTYL 163.586 8.4755E- -2.3662E- 3.0276E- 182 554 286.18
n- 01 03 06
BUTYRAT
E
825 C8H16O2 n-HEXYL 151.219 1.0146E+0 -2.8015E- 3.4908E- 193 556 297.21
ACETATE 0 03 06
826 C8H16O2 ISOBUTYL 134.537 9.6926E- -2.7469E- 3.4583E- 193 542 271.00
ISOBUTYR 01 03 06
ATE
827 C8H16O2 n- 70.790 1.7647E+0 -4.1521E- 3.9451E- 291 623 332.41

OCTANOI 0 03 06
C ACID
828 C8H16O4 DIETHYLE 94.642 1.4299E+0 -3.6213E- 3.8211E- 249 594 300.32
NE 0 03 06
GLYCOL
ETHYL
ETHER
ACETATE
829 C8H18 2,2- 134.993 7.1970E- -2.2691E- 3.3443E- 153 495 236.50
DIMETHY 01 03 06
LHEXANE
830 C8H18 2,3- 109.692 1.0911E+0 -3.2597E- 4.1505E- 201 507 255.25
DIMETHY 0 03 06
LHEXANE
831 C8H18 2,4- 100.402 1.1952E+0 -3.6032E- 4.6524E- 201 498 259.76
DIMETHY 0 03 06
LHEXANE
832 C8H18 2,5- 117.480 1.0073E+0 -3.1157E- 4.2149E- 183 495 252.56
DIMETHY 0 03 06
LHEXANE
833 C8H18 3,3- 162.481 6.0487E- -1.8604E- 2.7473E- 148 506 250.25
DIMETHY 01 03 06
LHEXANE
834 C8H18 3,4- 110.815 1.0643E+0 -3.1571E- 3.9990E- 201 512 253.47
DIMETHY 0 03 06
LHEXANE
835 C8H18 3- 118.557 1.0528E+0 -3.1298E- 3.9795E- 201 509 259.72

ETHYLHE 0 03 06
XANE
836 C8H18 3-ETHYL- 223.040 -1.8075E- 8.4029E- – 159 419 243.85

2- 01 04
METHYLP
ENTANE
837 C8H18 3- 127.455 8.5728E- -2.5344E- 3.3510E- 183 519 246.57

METHYL- 01 03 06
3-
ETHYLPE
NTANE
838 C8H18 2- 134.965 8.1456E- -2.5182E- 3.5416E- 165 504 247.85

METHYLH 01 03 06
EPTANE
839 C8H18 3- 148.156 6.7559E- -2.0742E- 3.0104E- 154 507 244.99

METHYLH 01 03 06
EPTANE
840 C8H18 4- 143.202 7.5567E- -2.3377E- 3.4039E- 153 506 250.91

METHYLH 01 03 06
EPTANE
841 C8H18 n-OCTANE 82.736 1.3043E+0 -3.8254E- 4.6459E- 217 512 254.71
0 03 06
842 C8H18 2,2,3- 145.424 6.7385E- -2.0472E- 2.9087E- 162 507 241.44
TRIMETH 01 03 06
YLPENTA
NE
843 C8H18 2,2,4- 122.772 7.9485E- -2.4977E- 3.5652E- 187 490 232.22
TRIMETH 01 03 06
YLPENTA
NE
844 C8H18 2,3,3- 137.011 7.7661E- -2.3224E- 3.1604E- 173 516 245.87
TRIMETH 01 03 06
YLPENTA
NE
845 C8H18 2,3,4- 133.693 7.0961E- -2.1657E- 3.0284E- 165 510 233.01
TRIMETH 01 03 06
YLPENTA
NE
846 C8H18 2,2,3,3- 236.692 -1.8558E- 8.2075E- – 173 410 254.33

TETRAME 01 04
THYLBUT
ANE
847 C8H18O DI-n- 142.477 9.7186E- -2.8724E- 3.8233E- 179 523 278.23
BUTYL 01 03 06
ETHER
848 C8H18O DI-sec- 144.597 9.8928E- -3.0250E- 4.1672E- 174 503 281.10
BUTYL 01 03 06
ETHER
849 C8H18O DI-tert- 111.404 1.1963E+0 -3.6509E- 4.7788E- 196 495 270.20
BUTYL 0 03 06
ETHER
850 C8H18O 2-ETHYL- 149.560 9.7903E- -2.6177E- 3.1042E- 204 576 291.04
1- 01 03 06
HEXANOL
851 C8H18O 1- 93.554 1.6251E+0 -4.1118E- 4.2771E- 259 587 325.92

OCTANOL 0 03 06
852 C8H18O 2- 108.193 1.3922E+0 -3.8190E- 3.9542E- 243 573 306.36

OCTANOL 0 03 06
853 C8H18O2 DI-t- 58.496 1.8484E+0 -5.4614E- 6.5107E- 234 492 296.67
BUTYL 0 03 06
PEROXIDE
854 C8H18O2 DI-n- 59.519 1.8350E+0 -3.9006E- 3.3716E- 319 690 –

S BUTYL 0 03 06
SULFONE
855 C8H18O3 DIETHYLE 121.376 1.5648E+0 -4.2040E- 4.7572E- 230 562 340.31
NE 0 03 06
GLYCOL
DIETHYL
ETHER
856 C8H18O3 DIETHYLE 178.807 1.2134E+0 -3.1845E- 3.7197E- 206 589 355.89
NE 0 03 06
GLYCOL
MONOBU
TYL
EHTER
857 C8H18O4 TRIETHYL 107.066 1.7928E+0 -4.5686E- 5.1691E- 230 586 372.47
ENE 0 03 06
GLYCOL
DIMETHY
L ETHER
858 C8H18O5 TETRAET 148.238 1.9353E+0 -4.4926E- 4.3610E- 269 650 441.47
HYLENE 0 03 06
GLYCOL
859 C8H18S n-OCTYL 139.644 1.0737F+0 -2.7255E- 3.0400E- 225 598 298.05
MERCAPT 0 03 06
AN
860 C8H18S tert- 145.080 9.9301E- -2.7057E- 3.2816E- 200 564 287.60
OCTYL 01 03 06
MERCAPT
AN
861 C8H18S BUTYL- 280.893 -2.4129E- 8.2276E- – 211 465 282.09

SULFIDE 01 04
862 C8H18S ETHYL- 298.657 -2.5797E- 8.6942E- – 211 498 299.03

HEXYL- 01 04
SULFIDE
863 C8H18S HEPTYL- 298.657 -2.5797E- 8.6942E- – 211 498 299.03

METHYL- 01 04
SULFIDE
864 C8H18S PENTYL- 298.657 -2.5797E- 8.6942E- – 211 498 299.03

PROPYL- 01 04
SULFIDE
865 C8H18S2 BUTYL- 302.417 -1.9723E- 7.1586E- – 203 534 307.25

DISULFIDE 01 04
866 C8H19N DI-n- 125.522 1.2417E+0 -3.4554E- 4.1291E- 212 547 298.00
BUTYLAM 0 03 06
INE
867 C8H19N DIISOBUT 116.945 1.1416E+0 -3.3242E- 4.1390E- 204 522 271.50
YLAMINE 0 03 06
868 C8H19N n- 23.349 1.8986E+0 -4.8933E- 5.0194E- 274 564 287.48

OCTYLAM 0 03 06
INE
869 C8H23N5 TETRAET 235.417 1.3983E+0 -3.1051E- 3.0617E- 244 697 457.45
HYLENEP 0 03 06
ENTAMIN
E
870 C8H24O4 OCTAMET -154.769 4.9615E+0 -1.3184E- 1.3370E- 292 528 506.88
Si4 HYLCYCL 0 02 05
OTETRASI
LOXANE
871 C9H4O5 TRIMELLI -152.608 3.4176E+0 -5.9931E- 4.0275E- 439 801 –

TIC 0 03 06
ANHYDRI
DE
872 C9H6N2O TOLUENE 166.184 8.4304E- -1.9148E- 1.7489E- 288 663 293.68
2 DIISOCYA 01 03 06
NATE
873 C9H7N ISOQUINO 78.662 9.0821E- -1.8955E- 1.6489E- 300 723 –

LINE 01 03 06
874 C9H7N QUINOLIN 101.271 7.4437E- -1.6527E- 1.5545E- 259 704 217.49
E 01 03 06
875 C9H7NO 8- 35.798 1.3699E+0 -2.7904E- 2.2710E- 347 709 –

HYDROXY 0 03 06
QUINOLIN
E
876 C9H8 INDENE 43.911 1.0085E+0 -2.4187E- 2.3969E- 273 618 193.11
0 03 06
877 C9H8O 2- 127.806 6.4053E- -1.5902E- 1.8163E- 201 628 225.58

METHYLB 01 03 06
ENZOFUR
AN
878 C9H10 INDANE 95.857 6.8757E- -1.7066E- 1.8820E- 223 616 199.03
01 03 06
879 C9H10 cis- 208.904 -1.6810E- 5.8261E- – 212 473 210.58

PROPENY 01 04
LBENZEN
E
880 C9H10 trans- 219.352 -2.1767E- 6.3897E- – 245 473 211.25

PROPENY 01 04
LBENZEN
E
881 C9H10 alpha- 56.844 1.0891E+0 -2.7746E- 2.9320E- 251 589 212.62
METHYLS 0 03 06
TYRENE
882 C9H10 m- 119.076 6.2029E- -1.6332E- 1.9918E- 188 591 211.62

METHYLS 01 03 06
TYRENE
883 C9H10 o- 107.320 7.0596E- -1.8365E- 2.1433E- 206 593 211.36

METHYLS 01 03 06
TYRENE
884 C9H10 p- 50.671 1.1117E+0 -2.8132E- 3.0418E- 240 599 212.65

METHYLS 0 03 06
TYRENE
885 C9H10O2 BENZYL 115.669 9.0022E- -2.1868E- 2.4005E- 223 629 253.30
ACETATE 01 03 06
886 C9H10O2 ETHYL 99.390 9.7851E- -2.3907E- 2.5031E- 239 628 244.95
BENZOAT 01 03 06
E
887 C9H10O3 ETHYL -55.581 2.3898E+0 -5.0676E- 4.1689E- 352 673 –

VANILLIN 0 03 06
888 C9H11NO p- 14.062 1.4819E+0 -2.9250E- 2.3046E- 349 749 –

DIMETHY 0 03 06
LAMINOB
ENZALDE
HYDE
889 C9H12 CUMENE 124.621 6.3293E- -1.7331E- 2.2146E- 178 568 217.96
01 03 06
890 C9H12 m- 118.191 6.5993E- -1.8276E- 2.2958E- 179 573 213.33

ETHYLTO 01 03 06
LUENE
891 C9H12 o- 116.132 7.0496E- -1.8863E- 2.2662E- 193 588 218.70

ETHYLTO 01 03 06
LUENE
892 C9H12 p- 96.421 8.4441E- -2.2664E- 2.6292E- 212 576 216.40

ETHYLTO 01 03 06
LUENE
893 C9H12 MESITYLE 83.637 8.7859E- -2.3192E- 2.5989E- 229 574 208.31
NE 01 03 06
894 C9H12 n- 123.471 6.1973E- -1.6883E- 2.1608E- 175 575 215.43

PROPYLB 01 03 06
ENZENE
895 C9H12 1,2,3- 89.589 8.7498E- -2.1986E- 2.3108E- 249 59B 216.26
TRIMETH 01 03 06
YLBENZE
NE
896 C9H12 1,2,4- 90.157 8.5988E- -2.2344E- 2.4758E- 230 584 213.52
TRIMETH 01 03 06
YLBENZE
NE
897 C9H12O BENZYL 63.263 1.2864E+0 -3.1713E- 3.1521E- 277 596 248.44
ETHYL 0 03 06
ETHER
898 C9H12O 2- -13.130 1.7631E+0 -4.2375E- 3.9438E- 310 594 –

PHENYL- 0 03 06
2-
PROPANO
L
899 C9H12O2 CUMENE 30.201 1.2367E+0 -3.2853E- 3.4917E- 265 545 199.41
HYDROPE 0 03 06
ROXIDE
900 C9H14O ISOPHOR 104.758 1.12B7E+0 -2.8348E- 2.5900E- 266 644 275.71
ONE 0 03 06
901 C9H14O6 GLYCERY 92.681 1.9216E+0 -4.5232E- 4.3632E- 278 634 379.17
L 0 03 06
TRIACETA
TE
902 C9H16 1- 285.120 -3.0556E- 9.6796E- – 224 454 280.06

NONYNE 01 04
903 C9H16O4 AZELAIC -99.273 2.9104E+0 -5.7081E- 4.3289E- 381 730 –

ACID 0 03 06
904 C9H18 BUTYLCY 237.663 -1.5962E- 7.2063E- – 166 460 254.13

CLOPENT 01 04
ANE
905 C9H18 cis,cis- 237.210 -2.7544E- 8.6342E- – 224 442 231.84

1,3,5- 01 04
TRIMETH
YLCYCLO
HEXANE
906 C9H18 cis,trans- 226.185 -2.1498E- 8.0846E- – 190 444 233.96

1,3,5- 01 04
TRIMETH
YLCYCLO
HEXANE
907 C9H18 ISOPROPY 135.470 7.3570E- -2.0088E- 2.5402E- 185 564 243.58
LCYCLOH 01 03 06
EXANE
908 C9H18 1- 131.207 1.0851E+0 -3.1284E- 3.9692E- 193 534 281.84

NONENE 0 03 06
909 C9H18 n- 140.390 6.9340E- -1.8670E- 2.3693E- 179 575 243.96

PROPYLC 01 03 06
YCLOHEX
ANE
910 C9H18O DIISOBUT 120.604 1.3273E+0 -3.5981E- 4.1206E- 228 554 305.70
YL 0 03 06
KETONE
911 C9H18O 1- 109.614 1.4417E+0 -3.7140E- 3.9055E- 256 576 312.82

NONANAL 0 03 06
912 C9H18O2 n-BUTYL 186.168 9.8508E- -2.6925E- 3.4254E- 181 566 331.31
VALERAT 01 03 06
E
913 C9H18O2 n- 68.159 1.9333E+0 -4.4977E- 4.2984E- 287 633 358.69

NONANOI 0 03 06
C ACID
914 C9H18O2 n-OCTYL 121.458 1.4581E+0 -3.7740E- 4.1758E- 235 581 331.39
FORMATE 0 03 06
915 C9H20 3,3- 100.112 1.3624E+0 -3.6579E- 4.0967E- 241 549 289.72
DIETHYLP 0 03 06
ENTANE
916 C9H20 2,2- 142.170 8.0821E- -2.3530E- 3.1466E- 175 531 257.37
DIMETHY 01 03 06
L-3-
ETHYLPE
NTANE
917 C9H20 3-ETHYL- 282.700 -2.0700E- 8.7062E- – 175 448 278.37

2,3- 01 04
DIMETHY
LPENTAN
E
918 C9H20 2,4- 156.947 6.7635E- -1.9882E- 2.8297E- 152 532 258.86
DIMETHY 01 03 06
L-3-
ETHYLPE
NTANE
919 C9H20 2,2- 162.732 8.3408E- -2.4872E- 3.5029E- 181 519 283.18
DIMETHY 01 03 06
LHEPTAN
E
920 C9H20 2,6- 150.823 8.8786E- -2.5671E- 3.5066E- 171 521 274.31
DIMETHY 01 03 06
LHEPTAN
E
921 C9H20 3- 163.938 7.6230E- -2.2423E- 3.1228E- 159 531 274.68

ETHYLHE 01 03 06
PTANE
922 C9H20 4- 254.613 -1.9550E- 8.9291E- – 161 446 275.70

ETHYLHE 01 04
PTANE
923 C9H20 2,3- 252.537 -1.9354E- 8.8253E- – 161 444 273.28

DIMETHY 01 04
LHEPTAN
E
924 C9H20 2,4- 243.392 -1.9716E- 8.9422E- – 161 436 264.10

DIMETHY 01 04
LHEPTAN
E
925 C9H20 2,5- 247.061 -1.9425E- 8.8543E- – 161 439 267.85

DIMETHY 01 04
LHEPTAN
E
926 C9H20 3,4- 256.472 -2.1263E- 9.0306E- – 171 444 273.35

DIMETHY 01 04
LHEPTAN
E
927 C9H20 3,5- 250.917 -2.1497E- 9.1060E- – 171 439 267.77

DIMETHY 01 04
LHEPTAN
E
928 C9H20 4,4- 250.045 -2.1516E- 9.0978E- – 171 438 266.77

DIMETHY 01 04
LHEPTAN
E
929 C9H20 3-ETHYL- 249.595 -1.9554E- 8.8760E- – 161 441 270.20

2- 01 04
METHYLH
EXANE
930 C9H20 4-ETHYL- 244.519 -1.9622E- 8.9043E- – 161 437 265.17

2- 01 04
METHYLH
EXANE
931 C9H20 3-ETHYL- 252.843 -1.8883E- 8.6329E- – 161 444 273.35

3- 01 04
METHYLH
EXANE
932 C9H20 3-ETHYL- 252.536 -1.9298E- 8.7872E- – 161 444 273.11

4- 01 04
METHYLH
EXANE
933 C9H20 2,2,3- 242.060 -1.7176E- 8.3347E- – 154 437 264.94

TRIMETH 01 04
YLHEXAN
E
934 C9H20 2,2,4- 233.575 -1.7765E- 8.5469E- – 154 430 258.58

TRIMETH 01 04
YLHEXAN
E
935 C9H20 2,3,3- 248.056 -1.7619E- 8.3591E- – 157 441 269.83

TRIMETH 01 04
YLHEXAN
E
936 C9H20 2,3,4- 249.607 -1.7997E- 8.4982E- – 157 442 271.49

TRIMETH 01 04
YLHEXAN
E
937 C9H20 2,3,5- 236.670 -1.6201E- 8.3248E- – 146 435 262.37

TRIMETH 01 04
YLHEXAN
E
938 C9H20 2,4,4- 240.788 -1.9049E- 8.7041E- – 161 434 261.37

TRIMETH 01 04
YLHEXAN
E
939 C9H20 3,3,4- 256.800 -2.0287E- 8.6327E- – 173 444 273.15

TRIMETH 01 04
YLHEXAN
E
940 C9H20 2- 129.481 1.1045E+0 -3.2083E- 4.0849E- 194 528 281.87

METHYLO 0 03 06
CTANE
941 C9H20 3- 157.300 7.9579E- -2.3303E- 3.1813E- 167 531 271.73

METHYLO 01 03 06
CTANE
942 C9H20 4- 154.947 7.9611E- -2.3367E- 3.2605E- 161 529 271.00

METHYLO 01 03 06
CTANE
943 C9H20 n- 98.040 1.3538E+0 -3.8058E- 4.4991E- 221 536 282.60

NONANE 0 03 06
944 C9H20 2,2,3,3- 51.432 1.6682E+0 -4.3927E- 4.6698E- 264 550 282.09
TETRAME 0 03 06
THYLPEN
TANE
945 C9H20 2,2,3,4- 156.896 6.3296E- -1.8390E- 2.6149E- 153 533 251.44
TETRAME 01 03 06
THYLPEN
TANE
946 C9H20 2,2,4,4- 110.024 1.1491E+0 -3.3554E- 4.1855E- 208 514 265.28
TETRAME 0 03 06
THYLPEN
TANE
947 C9H20 2,3,3,4- 241.147 -1.6815E- 8.2339E- – 153 436 264.21

TETRAME 01 04
THYLPEN
TANE
948 C9H20 2,2,5- 139.690 8.6342E- -2.6067E- 3.6252E- 168 511 261.48
TRIMETH 01 03 06
YLHEXAN
E
949 C9H20O 2,6- 146.975 1.3141E+0 -3.6752E- 4.4493E- 209 543 330.01
DIMETHY 0 03 06
L-4-
HEPTANO
L
950 C9H20O 1- 119.340 1.7978E+0 -4.4066E- 4.4125E- 269 606 380.59

NONANOL 0 03 06
951 C9H20O 2- 119.928 1.6303E+0 -4.3506E- 4.8181E- 239 561 346.95

NONANOL 0 03 06
952 C9H20S n-NONYL 122.053 1.4300E+0 -3.4883E- 3.6087E- 254 613 334.13
MERCAPT 0 03 06
AN
953 C9H20S BUTYL- 343.332 -3.2796E- 9.8120E- – 232 521 332.77

PENTYL- 01 04
SULFIDE
954 C9H20S ETHYL- 343.332 -3.2796E- 9.8120E- – 232 521 332.77

HEPTYL- 01 04
SULFIDE
955 C9H20S HEXYL- 343.332 -3.2796E- 9.8120E- – 232 521 332.77

PROPYL- 01 04
SULFIDE
956 C9H20S METHYL- 343.332 -3.2796E- 9.8120E- – 232 521 332.77

OCTYL- 01 04
SULFIDE
957 C9H21N n- 44.935 1.9488E+0 -4.9000E- 4.9495E- 274 583 321.56

NONYLAM 0 03 06
INE
958 C9H21N TRIPROPY 175.535 1.0070E+0 -3.0021E- 3.9660E- 181 520 314.03
LAMINE 0 03 06
959 C10H6O8 PYROMEL -866.125 5.9659E+0 -9.5709E- 5.5330E- 555 804 –

LITIC 0 03 06
ACID
960 C10H7Br 1- 114.214 8.0622E- -1.8535E- 1.4811E- 280 742 246.86

BROMON 01 03 06
APHTHAL
ENE
961 C10H7Cl 1- 108.538 8.3305E- -1.7B33E- 1.6721E- 270 707 242.70

CHLORON 01 03 06
APHTHAL
ENE
962 C10H8 NAPHTHA -30.842 1.5362E+0 -3.2492E- 2.6568E- 354 674 –

LENE 0 03 06
963 C10H8 AZULENE 233.924 -1.0264E- 4.5808E- – 175 545 244.04

01 04
964 C10H9N QUINALDI 86.319 1.0201E+0 -2.2474E- 2.0895E- 273 696 246.05
NE 0 03 06
965 C10H10 m- 133.444 7.6302E- -1.8930E- 2.1501E- 207 623 249.65

DIVINYLB 01 03 06
ENZENE
966 C10H10 1- 172.844 5.7594E- -1.4323E- 1.6119E- 201 633 259.96

METHYLI 01 03 06
NDENE
967 C10H10 2- -81.284 2.1991E+0 -4.9461E- 4.1828E- 354 616 –

METHYLI 0 03 06
NDENE
968 C10H10O DIMETHY 116.404 1.1694E+0 -2.5655E- 2.4133E- 273 689 300.96
4 L 0 03 06
PHTHALA
TE
969 C10H10O DIMETHY -190.453 3.1282E+0 -6.1441E- 4.5099E- 415 695 –

4 L 0 03 06
TEREPHT
HALATE
970 C10H12 DICYCLOP -32.699 1.9645E+0 -4.7301E- 4.4311E- 308 594 –

ENTADIEN 0 03 06
E
971 C10H12 1,2,3,4- 118.217 7.6524E- -1.8150E- 1.8740E- 238 648 234.70
TETRAHY 01 03 06
DRONAPH
THALENE
972 C10H12O ANETHOL 73.791 1.8384E+0 -4.1681E- 3.8533E- 296 651 353.50
E 0 03 06
973 C10H12O DIALLYL 169.156 1.3290E+0 -3 2856 E- 3.5482E- 227 624 367.38
4 MALEATE 0 03 06
974 C10H14 n- 140.161 7.2011E- -1.8916E- 2.3069E- 186 594 247.85

BUTYLBE 01 03 06
NZENE
975 C10H14 sec- 137.811 7.6025E- -1.9702E- 2.3246E- 199 598 250.95
BUTYLBE 01 03 06
NZENE
976 C10H14 tert- 113.801 8.1538E- -2.1047E- 2.3922E- 216 594 233.22
BUTYLBE 01 03 06
NZENE
977 C10H14 1,2,3,4- 257.596 -2.9458E- 7.5542E- – 268 508 236.92

TETRAME 01 04
THYLBEN
ZENE
978 C10H14 m- 121.295 8.5346E- -2.2176E- 2.5641E- 210 591 246.58

CYMENE 01 03 06
979 C10H14 o- 128.152 8.0370E- -2.0908E- 2.4476E- 203 596 246.79

CYMENE 01 03 06
980 C10H14 p- 121.863 8.1593E- -2.1402E- 2.5029E- 206 588 241.22

CYMENE 01 03 06
981 C10H14 m- 140.766 7.2215E- -1.8858E- 2.2725E- 190 597 248.67

DIETHYLB 01 03 06
ENZENE
982 C10H14 o- 96.082 1.1064E+0 -2.7841E- 2.9618E- 243 601 256.97

DIETHYLB 0 03 06
ENZENE
983 C10H14 p- 104.686 1.0430E+0 -2.6792E- 2.9453E- 231 592 255.72

DIETHYLB 0 03 06
ENZENE
984 C10H14 2-ETHYL- 80.529 1.3172E+0 -3.2839E- 3.3597E- 258 604 272.15
m- 0 03 06
XYLENE
985 C10H14 2-ETHYL- 122.523 9.8711E- -2.5324E- 2.8461E- 221 597 267.15
p-XYLENE 01 03 06
986 C10H14 3-ETHYL- 115.338 9.8998E- -2.4961E- 2.7344E- 225 612 261.09
o-XYLENE 01 03 06
987 C10H14 4-ETHYL- 131.880 9.1833E- -2.3617E- 2.7082E- 211 599 267.52
m- 01 03 06
XYLENE
988 C10H14 4-ETHYL- 138.038 8.7852E- -2.2642E- 2.6114 E- 207 600 267.91
o-XYLENE 01 03 06
989 C10H14 5-ETHYL- 145.064 7.8009E- -2.0540E- 2.4995E- 190 590 261.31
m- 01 03 06
XYLENE
990 C10H14 ISOBUTYL 111.391 9.5474E- -2.4575E- 2.7977E- 223 585 251.74
BENZENE 01 03 06
991 C10H14 1,2,3,5- 101.280 1.2219E+0 -3.0164E- 3.1337E- 250 611 280.50
TETRAME 0 03 06
THYLBEN
ZENE
992 C10H14 1,2,4,5- -157.001 2.8646E+0 -6.4974E- 5.5536E- 353 608 –

TETRAME 0 03 06
THYLBEN
ZENE
993 C10H14O p-tert- -114.737 2.7001E+0 -5.6830E- 4.5566E- 373 661 –

BUTYLPH 0 03 06
ENOL
994 C10H14O p-tert- 85.881 1.6545E+0 -3.4613E- 2.9371E- 326 698 –

2 BUTYLCA 0 03 06
TECHOL
995 C10H15N N,N- 135.108 1.0920E+0 -2.6691E- 2.7956E- 236 632 297.52
DIETYHLA 0 03 06
NILINE
996 C10H15N 2,6- 90.510 1.6652E+0 -4.0127E- 3.9532E- 278 610 335.06
DIETHYLA 0 03 06
NILINE
997 C10H16 CAMPHE -78.162 2.3233E+0 -5.6540E- 5.2271E- 321 574 –

NE 0 03 06
998 C10H16 D- 147.367 8.5555E- -2.2423E- 2.6375E- 200 594 273.03

LIMONEN 01 03 06
E
999 C10H16 alpha- 147.595 9.1044E- -2.4065E- 2.8595E- 201 584 280.91
PHELLAN 01 03 06
DRENE
1000 C10H16 beta- 141.088 9.4067E- -2.4715E- 2.9581E- 201 583 280.31
PHELLAN 01 03 06
DRENE
1001 C10H16 alpha- 115.716 8.4523E- -2.2864E- 2.6813E- 210 569 235.54
PINENE 01 03 06
1002 C10H16 beta- 154.744 7.6838E- -2.0522E- 2.3566E- 213 579 263.87
PINENE 01 03 06
1003 C10H16 alpha- 156.773 9.4558E- -2.4884E- 2.9501E- 201 587 295.68
TERPINEN 01 03 06
E
1004 C10H16 gamma- 157.700 9.3121E- -2.4245E- 2.8522E- 201 595 295.41
TERPINEN 01 03 06
E
1005 C10H16 TERPINOL 147.614 8.5448E- -2.1968E- 2.5600E- 201 605 274.95
ENE 01 03 06
1006 C10H16O CAMPHO -918.198 7.2532E+0 -1.4472E- 1.0320E- 454 638 –

R 0 02 05
1007 C10H18 1-DECYNE 319.895 -3.4153E- 1.0389E- – 230 477 310.42

01 03
1008 C10H18 cis- 140.152 9.2529E- -2.2387E- 2.3877E- 231 632 280.31
DECAHYD 01 03 06
RONANPH
TALENE
1009 C10H18 trans- 108.262 9.5784E- -2.3377E- 2.4579E- 244 618 251.18
DECAHYD 01 03 06
RONAPHT
HALENE
1010 C10H18O SEBACIC -232.230 3.7055E+0 -7.0861E- 5.1392E- 409 734 –

4 ACID 0 03 06
1011 C10H20 n- 172.622 9.6521E- -2.4777E- 2.9249E- 199 600 317.67

BUTYLCY 01 03 06
CLOHEXA
NE
1012 C10H20 1- 277.584 -2.1950E- 8.2818E- – 191 484 285.76

CYCLOPE 01 04
NTYLPEN
TANE
1013 C10H20 1-DECENE 137.962 1.1934E+0 -3.2863E- 3.9390E- 208 555 306.05
0 03 06
1014 C10H20O 1- 99.811 1.7388E+0 -4.3395E- 4.4070E- 268 591 349.03

DECANAL 0 03 06
1015 C10H20O n- 82.541 2.0301E+0 -4.7509E- 4.3243E- 306 542 –

2 DECANOI 0 03 06
C ACID
1016 C10H20O 2- 196.577 1.0336E+0 -2.8064E- 3.5277E- 181 575 348.77

2 ETHYLHE 0 03 06
XYL
ACETATE
1017 C10H20O ISOPENTY 196.741 1.1653E+0 -3.1036E- 3.5764E- 216 573 363.08
2 L 0 03 06
ISOVALER
ATE
1018 C10H22 n-DECANE 79.741 1.6926E+0 -4.5287E- 4.9769E- 244 557 313.73
0 03 06
1019 C10H22 2- 148.342 1.1724E+0 -3.2619E- 4.0293E- 200 549 314.73

METHYLN 0 03 06
ONANE
1020 C10H22 3- 163.728 1.0268E+0 -2.8681E- 3.6165E- 189 552 310.75

METHYLN 0 03 06
ONANE
1021 C10H22 4- 170.158 9.8007E- -2.7635E- 3.6333E- 175 549 313.00

METHYLN 01 03 06
ONANE
1022 C10H22 5- 163.221 1.0420E+0 -2.9260E- 3.731IE-06 186 549 312.69

METHYLN 0 03
ONANE
1023 C10H22 3- 297,286 -2.7568E- 1.0262E- – 189 471 306.31

ETHYLOC 01 03
TANE
1024 C10H22 4- 298.363 -2.5314E- 1.0270E- – 175 469 314.18

ETHYLOC 01 03
TANE
1025 C10H22 2,2- 150.701 1.1882E+0 -3.3380E- 4.1326E- 201 542 317.76
DIMETHY 0 03 06
LOCTANE
1026 C10H22 2,3- 310.889 -3.6032E- 1.1271E- – 220 467 303.65

DIMETHY 01 03
LOCTANE
1027 C10H22 2,4- 300.513 -3.6840E- 1.1483E- – 220 459 292.75

DIMETHY 01 03
LOCTANE
1028 C10H22 2,5- 303.643 -3.6525E- 1.1403E- – 220 462 296.11

DIMETHY 01 03
LOCTANE
1029 C10H22 2,6- 307.570 -3.6498E- 1.1423E- – 220 464 300.29

DIMETHY 01 03
LOCTANE
1030 C10H22 2,7- 305.167 -3.6255E- 1.1343E- – 220 463 297.91

DIMETHY 01 03
LOCTANE
1031 C10H22 3,3- 306.637 -3.5822E- 1.1158E- – 220 464 299.61

DIMETHY 01 03
LOCTANE
1032 C10H22 3,4- 309.671 -3.5905E- 1.1231E- – 220 467 302.46

DIMETHY 01 03
LOCTANE
1033 C10H22 3,5- 304.961 -3.6667E- 1.1431E- – 220 463 297.25

DIMETHY 01 03
LOCTANE
1034 C10H22 3,6- 306.433 -3.6204E- 1.1316E- – 220 464 299.08

DIMETHY 01 03
LOCTANE
1035 C10H22 4,4- 302.371 -3.6365E- 1.1344E- – 220 461 294.79

DIMETHY 01 03
LOCTANE
1036 C10H22 4,5- 308.309 -3.6336E- 1.1340E- – 220 465 300.78

DIMETHY 01 03
LOCTANE
1037 C10H22 4- 303.307 -3.7857E- 1.1735E- – 220 461 294.75

PROPYLH 01 03
EPTANE
1038 C10H22 4- 304.709 -3.7117E- 1.1532E- – 220 462 296.56

ISOPROPY 01 03
LHEPTAN
E
1039 C10H22 3-ETHYL- 307.322 -3.6599E- 1.1403E- – 220 464 299.56

2- 01 03
METHYLH
EPTANE
1040 C10H22 4-ETHYL- 301.426 -3.7449E- 1.1622E- – 220 459 293.09

2- 01 03
METHYLH
EPTANE
1041 C10H22 5-ETHYL- 305.343 -3.6659E- 1.1428E- – 220 463 297.63

2- 01 03
METHYLH
EPTANE
1042 C10H22 3-ETHYL- 310.177 -3.5683E- 1.1156E- – 220 467 302.96

3- 01 03
METHYLH
EPTANE
1043 C10H22 4-ETHYL- 308.658 -3.6576E- 1.1388E- – 220 465 300.84

3- 01 03
METHYLH
EPTANE
1044 C10H22 3-ETHYL- 303.594 -3.6791E- 1.1450E- – 220 461 295.66

5- 01 03
METHYLH
EPTANE
1045 C10H22 3-ETHYL- 309.662 -3.6519E- 1.1374E- – 220 466 301.89

4- 01 03
METHYLH
EPTANE
1046 C10H22 4-ETHYL- 306.529 -3.6038E- 1.1244E- – 220 464 299.04

4- 01 03
METHYLH
EPTANE
1047 C10H22 2,2,3- 301.506 -3.4804E- 1.0938E- – 220 461 294.97

TRIMETH 01 03
YLHEPTA
NE
1048 C10H22 2,2,4- 290.745 -3.6419E- 1.1355E- – 220 451 283.10

TRIMETH 01 03
YLHEPTA
NE
1049 C10H22 2,2,5- 293.497 -3.5887E- 1.1225E- – 220 454 286.28

TRIMETH 01 03
YLHEPTA
NE
1050 C10H22 2,2,6- 291.021 -3.5797E- 1.1211E- – 220 452 283.95

TRIMETH 01 03
YLHEPTA
NE
1051 C10H22 2,3,3- 304.682 -3.4485E- 1.0852E- – 220 463 298.33

TRIMETH 01 03
YLHEPTA
NE
1052 C10H22 2,3,4- 304.922 -3.5459E- 1.1104E- – 220 463 297.91

TRIMETH 01 03
YLHEPTA
NE
1053 C10H22 2,3,5- 306.245 -3.5948E- 1.1234E- – 220 464 298.93

TRIMETH 01 03
YLHEPTA
NE
1054 C10H22 2,3,6- 300.038 -3.5823E- 1.1212E- – 220 459 292.90

TRIMETH 01 03
YLHEPTA
NE
1055 C10H22 2,4,4- 293.936 -3.6068E- 1.1262E- – 220 454 286.51

TRIMETH 01 03
YLHEPTA
NE
1056 C10H22 2,4,5- 300.845 -3.5978E- 1.1243E- – 220 460 293.52

TRIMETH 01 03
YLHEPTA
NE
1057 C10H22 2,4,6- 289.813 -3.6484E- 1.1385E- – 220 451 282.25

TRIMETH 01 03
YLHEPTA
NE
1058 C10H22 2,5,5- 295.893 -3.5599E- 1.1144E- – 220 456 288.81

TRIMETH 01 03
YLHEPTA
NE
1059 C10H22 3,3,4- 306.866 -3.4385E- 1.0821E- – 220 465 300.53

TRIMETH 01 03
YLHEPTA
NE
1060 C10H22 3,3,5- 298.523 -3.4072E- 1.0758E- – 220 459 292.57

TRIMETH 01 03
YLHEPTA
NE
1061 C10H22 3,4,4- 305.850 -3.4427E- 1.0832E- – 220 464 299.50

TRIMETH 01 03
YLHEPTA
NE
1062 C10H22 3,4,5- 308.822 -3.6332E- 1.1335E- – 220 466 301.26

TRIMETH 01 03
YLHEPTA
NE
1063 C10H22 3- 314.525 -3.6435E- 1.1342E- – 220 470 306.71

ISOPROPY 01 03
L-2-
METHYLH
EXANE
1064 C10H22 3,3- 313.202 -3.5200E- 1.1021E- – 220 469 306.22

DIETHYLH 01 03
EXANE
1065 C10H22 3,4- 310.903 -3.6513E- 1.1362E- – 220 467 303.04

DIETHYLH 01 03
EXANE
1066 C10H22 3-ETHYL- 300.060 -3.5414E- 1.1084E- – 220 459 293.00

2,2- 01 03
DIMETHY
LHEXANE
1067 C10H22 4-ETHYL- 288.944 -3.6124E- 1.1276E- – 220 450 281.48

2,2- 01 03
DIMETHY
LHEXANE
1068 C10H22 3-ETHYL- 309.032 -3.4101E- 1.0745E- – 220 467 302.88

2,3- 01 03
DIMETHY
LHEXANE
1069 C10H22 4-ETHYL- 306.225 -3.5397E- 1.1081E- – 220 464 299.19

2,3- 01 03
DIMETHY
LHEXANE
1070 C10H22 3-ETHYL- 305.208 -3.5440E- 1.1093E- – 220 463 298.15

2,4- 01 03
DIMETHY
LHEXANE
1071 C10H22 4-ETHYL- 305.829 -3.4416E- 1.0831E- – 220 464 299.50

2,4- 01 03
DIMETHY
LHEXANE
1072 C10H22 3-ETHYL- 298.068 -3.6334E- 1.1328E- – 220 457 290.43

2,5- 01 03
DIMETHY
LHEXANE
1073 C10H22 4-ETHYL- 308.177 -3.4330E- 1.0800E- – 220 466 301.83

3,3- 01 03
DIMETHY
LHEXANE
1074 C10H22 3-ETHYL- 307.296 -3.4561E- 10857E-03 – 220 465 300.77

3,4- 01
DIMETHY
LHEXANE
1075 C10H22 2,2,3,3- 304.361 -3.3713E- 1.0648E- – 220 463 298.50

TETRAME 01 03
THYLHEX
ANE
1076 C10H22 2,2,3,4- 302.661 -3.4061E- 1.0733E- – 220 462 296.52

TETRAME 01 03
THYLHEX
ANE
1077 C10H22 2,2,3,5- 289.718 -3.4622E- 1.0888E- – 220 452 283.28

TETRAME 01 03
THYLHEX
ANE
1078 C10H22 2,2,4,4- 297.284 -3.5589E- 1.1122E- – 220 457 290.04

TETRAME 01 03
THYLHEX
ANE
1079 C10H22 2,2,4,5- 289.594 -3.5401E- 1.1087E- – 220 451 282.60

TETRAME 01 03
THYLHEX
ANE
1080 C10H22 2,2,5,5- 303.057 -4.8151E- 1.2529E- – 262 441 270.87

TETRAME 01 03
THYLHEX
ANE
1081 C10H22 2,3,3,4- 335.560 -4.5519E- 1.1905E- – 262 468 305.67

TETRAME 01 03
THYLHEX
ANE
1082 C10H22 2,3,3,5- 322.824 -4.7916E- 1.2448E- – 262 456 290.61

TETRAME 01 03
THYLHEX
ANE
1083 C10H22 2,3,4,4- 332.559 -4.6510E- 1.2129E- – 262 465 301.70

TETRAME 01 03
THYLHEX
ANE
1084 C10H22 2,3,4,5- 326.901 -4.7986E- 1.2463E- – 262 459 294.62

TETRAME 01 03
THYLHEX
ANE
1085 C10H22 3,3,4,4- 341.010 -4.3712E- 1.1503E- – 262 473 312.94

TETRAME 01 03
THYLHEX
ANE
1086 C10H22 2,4- 286.505 -2.7595E- 1.0077E- – 192 460 293.81

DIMETHY 01 03
L-3-
ISOPROPY
LPENTAN
E
1087 C10H22 3,3- 302.418 -2.6252E- 9.6850E- – 192 473 310.24

DIETHYL- 01 04
2-
METHYLP
ENTANE
1088 C10H22 3-ETHYL- 301.780 -2.5175E- 9.3718E- – 192 473 310.03

2,2,3- 01 04
TRIMETH
YLPENTA
NE
1089 C10H22 3-ETHYL- 284.110 -2.7052E- 9.9146E- – 192 458 291.59

2,2,4- 01 04
TRIMETH
YLPENTA
NE
1090 C10H22 3-ETHYL- 301.839 -2.5618E- 9.5037E- – 192 473 309.94

2,3,4- 01 04
TRIMETH
YLPENTA
NE
1091 C10H22 2,2,3,3,4- 319.598 -3.5534E- 1.0459E- – 238 469 306.63

PENTAME 01 03
THYLPEN
TANE
1092 C10H22 2,2,3,4,4- 311.551 -3.7509E- 1.1011E- – 235 462 297.60

PENTAME 01 03
THYLPEN
TANE
1093 C10H22O 1- 97.978 2.1695E+0 -5.1554E- 5.0024E- 281 621 419.11

DECANOL 0 03 06
1094 C10H22O DI-n- 172.072 1.2808E+0 -3.4843E- 4.2101E- 205 560 355.80
PENTYL 0 03 06
ETHER
1095 C10H22O ISODECA 177.290 1.4535E+0 -3.8470E- 4.4446E- 214 580 386.48
NOL 0 03 06
1096 C10H22O TETRAET 151.123 1.6274E+0 -3.855E-03 4.0393E- 244 635 400.67
5 HYLENE 0 08
GLYCOL
DIMETHY
L ETHER
1097 C10H22S n-DECYL 181.298 1.2845E+0 -3.0994E- 3.1909E- 249 626 373.33
MERCAPT 0 03 06
AN
1098 C10H22S BUTYL- 382.149 -3.6933E- 1.0609E- – 239 543 366.34

HEXYL- 01 03
SULFIDE
1099 C10H22S ETHYL- 382.149 -3.6933E- 1.0609E- – 239 543 366.34

OCTYL- 01 03
SULFIDE
1100 C10H22S HEPTYL- 382.149 -3.6933E- 1.0609E- – 239 543 366.34

PROPYL- 01 03
SULFIDE
1101 C10H22S METHYL- 382.149 -3.603E-01 1.0609E- – 239 543 366.34

NONYL- 03
SULFIDE
1102 C10H22S PENTYL- 382.149 -3.6933E- 1.0609E- – 239 543 366.34

SULFIDE 01 03
1103 C10H22S2 PENTYL- 358.937 -2.5192E- 8.4135E- – 215 567 358.62

DISULFIDE 01 04
1104 C10H23N n- 22.358 2.2623E+0 -5.5160E- 5.3443E- 290 597 348.17

DECYLAM 0 03 06
INE
1105 C11H10 1- 114.585 7.4739E- -1.6860E- 1.6519E- 244 695 231.33

METHYLN 01 03 06
APHTHAL
ENE
1106 C11H10 2- 55.527 1.1885E+0 -2.5841E- 2.2618E- 309 685 –

METHYLN 0 03 06
APHTHAL
ENE
1107 C11H14O n-BUTYL 128.190 1.0698E+0 -2.4876E- 2.5024E- 253 652 292.35
2 BENZOAT 0 03 06
E
1108 C11H16 n- 163.989 8.4271E- -2.1430E- 2.4924E- 199 612 290.80

PENTYLB 01 03 06
ENZENE
1109 C11H16O p-tert- -78.043 2.5891E+0 -5.3928E- 4.3232E- 367 676 –

AMYLPHE 0 03 06
NOL
1110 C11H20 1- 362.301 -4.1921E- 1.1557E- – 249 498 340.05

UNDECYN 01 03
E
1111 C11H20O 2- 177.773 1.3122E+0 -3.3957E- 4.2877E- 184 590 380.79

2 ETHYLHE 0 03 06
XYL
ACRYLAT
E
1112 C11H22 1- 131.914 1.3856E+0 -3.6108E- 4.0918E- 225 574 326.54

UNDECEN 0 03 06
E
1113 C11H22 1- 313.322 -2.5876E- 9.0996E- – 201 506 317.06

CYCLOPE 01 04
NTYLHEX
ANE
1114 C11H22 PENTYLC 321.248 -2.8653E- 9.2864E- – 217 507 318.37

YCLOHEX 01 04
ANE
1115 C11H22O 1- 75.031 1.9847E+0 -4.7801E- 4.7739E- 274 605 362.42

UNDECAN 0 03 06
AL
1116 C11H24 n- 94.169 1.7806E+0 -4.6303E- 4.9675E- 249 575 345.10

UNDECAN 0 03 06
E
1117 C11H24O 1- 89.917 2.3236E+0 -5.3887E- 5.1024E- 290 634 438.91

UNDECAN 0 03 06
OL
1118 C11H24S UNDECYL 170.940 1.5240E+0 -3.5636E- 3.4697E- 271 639 400.50
MERCAPT 0 03 06
AN
1119 C11H24S BUTYL- 427.083 -4.4455E- 1.1758E- – 256 563 399.08

HEPTYL- 01 03
SULFIDE
1120 C11H24S DECYL- 427.083 -4.4455E- 1.1758E- – 256 563 399.06

METHYL- 01 03
SULFIDE
1121 C11H24S ETHYL- 427.083 -4.4456E- 1.1758E- – 256 563 399.06

NONYL- 01 03
SULFIDE
1122 C11H24S OCTYL- 427.083 -4.4455E- 1.1758E- – 256 563 399.06

PROPYL- 01 03
SULFIDE
1123 C12H8O DIBENZOF 3.954 1.4589E+0 -2.8450E- 2.2112E- 357 754 –

URAN 0 03 06
1124 C12H9N DIBENZOP -574.755 4.3452E+0 -7.1633E- 4.3069E- 519 809 –

YRROLE 0 03 06
1125 C12H10 ACENAPH -25.875 1.7836E+0 -3.5722E- 2.7591E- 368 723 –

THENE 0 03 06
1126 C12H10 BIPHENYL 27.519 1.5432E+0 -3.1647E- 2.5801E- 343 710 –

0 03 06
1127 C12H10O DIPHENYL 109.032 1.1920E+0 -2.5769E- 2.2960E- 301 687 –

ETHER 0 03 06
1128 C12H11N p- 89.305 1.3934E+0 -2.0O82E- 2.3212E- 327 735 –

AMINODIP 0 O3 06
HENYL
1129 C12H11N DIPHENYL 72.447 1.4612E+0 -2.9564E- 2.4383E- 327 735 –

AMINE 0 03 06
1130 C12H11N p- -18.690 2.2198E+0 -4.0371E- 2.8766E- 402 789 –

3 AMINOAZ 0 03 06
OBENZEN
E
1131 C12H11N 1,3- 24.880 1.9501E+0 -3.7161E- 2.8099E- 373 761 –

3 DIPHENYL 0 03 06
TRIAZENE
1132 C12H12 1,2- 305.551 -2.6995E- 6.8728E- – 273 569 286.16

DIMETHY 01 04
LNAPHTH
ALENE
1133 C12H12 1,3- 302.181 -2.6250E- 6.7797E- – 270 568 284.16

DIMETHY O1 04
LNAPHTH
ALENE
1134 C12H12 1,4- 311.152 -2.8602E- 7.0334E- – 282 570 288.40

DIMETHY 01 04
LNAPHTH
ALENE
1135 C12H12 1,5- 294.400 -1.4230E- 3.2020E- – 356 568 –

DIMETHY 01 04
LNAPHTH
ALENE
1136 C12H12 1,6- 294.192 -2.4342E- 6.5644 E- – 260 566 279.97

DIMETHY 01 04
LNAPHTH
ALENE
1137 C12H12 1,7- 294.582 -2.4492E- 6.5789E- – 261 566 280.02

DIMETHY 01 04
LNAPHTH
ALENE
1138 C12H12 2,3- 302.800 -1.6514E- 3.4091E- – 379 571 –

DIMETHY 01 04
LNAPHTH
ALENE
1139 C12H12 2,6- -128.447 2.4458E+0 -4.9011E- 3.7744E- 386 699 –

DIMETHY 0 03 06
LNAPHTH
ALENE
1140 C12H12 2,7- -81.227 2.1602E+0 -4.3745E- 3.4460E- 371 700 –

DIMETHY 0 03 06
LNAPHTH
ALENE
1141 C12H12 1- 143.270 9.1341E- -2.0099E- 1.9109E- 260 698 287.58

ETHYLNA 01 03 06
PHTHALE
NE
1142 C12H12 2- 286.838 -2.3020E- 6.1420E- – 267 561 272.80

ETHYLNA 01 04
PHTHALE
NE
1143 C12H12N p- 114.220 1.4456E+0 -2.7514E- 2.1602E- 342 780 357.90

2 AMINODIP 0 03 06
HENYLAM
INE
1144 C12H12N HYDRAZO – – – – – – –

2 BENZENE
1145 C12H14 1,2,3- -74.461 2.5391E+0 -5.5295E- 4.6506E- 346 653 –

TRIMETH 0 03 06
YLINDENE
1146 C12H14O DIETHYL 125.381 1.5763E+0 -3.4735E- 3.3343E- 270 681 374.95
4 PHTHALA 0 03 06
TE
1147 C12H16 CYCLOHE 89.522 1.4510E+0 -3.2409E- 3.0515E- 281 670 314.92
XYLBENZ 0 03 06
ENE
1148 C12H18 m- 116.438 1.1628E+0 -2.9169E- 3.3756E- 211 616 299.26

DIISOPRO 0 03 06
PYLBENZ
ENE
1149 C12H18 p- 112.459 1.3855E+0 -3.3118E- 3.3714E- 257 620 314.53

DIISOPRO 0 03 06
PYLBENZ
ENE
1150 C12H18 n- 168.255 9.9045E- -2.4462E- 2.7183E- 213 628 318.15

HEXYLBE 01 03 06
NZENE
1151 C12H18 1,2,3- 287.384 -2.3046E- 7.8685E- – 208 521 288.62

TRIETHYL 01 04
BENZENE
1152 C12H18 1,2,4- 287.384 -2.3046E- 7.8685E- – 208 521 288.62

TRIETHYL 01 04
BENZENE
1153 C12H18 1,3,5- 285.138 -2.2919E- 7.8316E- – 208 519 286.42

TRIETHYL 01 04
BENZENE
1154 C12H18 HEXAMET 404.309 -3.6154E- 5.9695E- – 440 567 –

HYLBENZ 01 04
ENE
1155 C12H20O DIBUTYL 261.366 1.0830E+0 -2.0152E- 3.0453E- 189 644 432.52
4 MALEATE 0 O3 06
1156 C12H22 BICYCLOH 111.875 1.3662E+0 -3.1246E- 2.9755E- 278 654 320.12
EXYL 0 03 06
1157 C12H22 1- 397.674 -4.6369E- 1.2353E- – 255 518 369.23

DODECYN 01 03
E
1158 C12H23N DICYCLOH 142.238 1.5261E+0 -3.4477E- 3.2968E- 274 663 378.16
EXYLAMI 0 03 06
NE
1159 C12H24 1- 129.203 1.5842E+0 -4.0461E- 4.3851E- 239 591 358.08

DODECEN 0 03 06
E
1160 C12H24 1- 355.089 -3.3434E- 1.0442E- – 221 527 348.23

CYCLOPE 01 03
NTYLHEP
TANE
1161 C12H24 1- 382.754 -4.4226E- 1.1327E- – 265 528 351.58

CYCLOHE 01 03
XYLHEXA
NE
1162 C12H24O 1- 58.364 2.6887E+0 -6.4291E- 6.1799E- 286 617 452.28

DODECAN 0 03 06
AL
1163 C12H24O n- 50.801 2.2580E+0 -4.9660E- 4.3771E- 316 661 –

2 DODECAN 0 03 06
OIC ACID
1164 C12H26 n- 84.485 2.0358E+0 -50981E- 5.2186E- 265 592 376.59

DODECAN 0 03 06
E
1165 C12H26O DI-n- 181.379 1.6216E+0 -4.1307E- 4.5662E- 231 592 418.70
HEXYL 0 03 06
ETHER
1166 C12H26O 1- 91.986 2.6300E+0 -5.9460E- 5.4956E- 298 649 493.22

DODECAN 0 03 06
OL
1167 C12H26O DIETHYLE 231.848 1.5569E+0 -3.9365E- 4.4234E- 214 612 463.35
3 NE 0 03 06
GLYCOL
DI-n-
BUTYL
ETHER
1168 C12H26S n- 159.306 1.6759E+0 -3.8485E- 3.7803E- 266 652 417.05

DODECYL 0 03 06
MERCAPT
AN
1169 C12H26S BUTYL- 464.127 -4.8601E- 1.2540E- – 280 582 430.70

OCTYL- 01 03
SULFIDE
1170 C12H26S DECYL- 464.127 -4.8601E- 1.2540E- – 260 582 430.70

ETHYL- 01 03
SULFIDE
1171 C12H26S HEXYL- 464.127 -4.8601E- 1.2540E- – 260 582 430.70

SULFIDE 01 03
1172 C12H26S METHYL- 464.127 -4.8601E- 1.2540E- – 260 582 430.70

UNDECYL- 01 03
SULFIDE
1173 C12H26S NONYL- 464.127 -4.8601E- 1.2540E- – 260 582 430.70

PROPYL- 01 03
SULFIDE
1174 C12H26S2 HEXYL- 414.759 -3.1117E- 9.6959E- – 226 597 408.17

DISULFIDE 01 04
1175 C12H27B TRI-n- – – – – – – –

O3 BUTYL
BORATE
1176 C12H27N DODECYL 58.749 2.4313E+0 -5.6459E- 5.2280E- 302 626 –

AMINE 0 03 06
1177 C12H27N TRI-n- 222.369 1.3613E+0 -3.6182E- 4.2792E- 204 580 420.02
BUTYLAM 0 03 06
INE
1178 C13H10 FLUOREN 12.689 1.5292E+0 -2.8199E- 2.0561E- 389 783 –

E 0 03 06
1179 C13H10O BENZOPH 74.191 1.4261E+0 -2.9066E- 2.4119E- 322 734 –

ENONE 0 03 06
1180 C13H12 DIPHENYL 81.092 1.2372E+0 -2.6723E- 2.3822E- 299 691 –

METHANE 0 03 06
1181 C13H14 1- 313.483 -2.6476E- 6.9554E- – 266 576 296.37

PROPYLN 01 04
APHTHAL
ENE
1182 C13H14 2- 317.168 -2.7519E- 7.0612E- – 271 577 297.89

PROPYLN 01 04
APHTHAL
ENE
1183 C13H14 2ETHYL-3- 313.867 -1.4295E- 3.3372E- – 345 580 –

METHYLN 01 04
APHTHAL
ENE
1184 C13H14 2ETHYL-6- 299.018 -1.1865E- 3.0962E- – 319 573 –

METHYLN 01 04
APHTHAL
ENE
1185 C13H14 2ETHYL-7- 299.018 -1.1865E- 3.0962E- – 319 573 –

METHYLN 01 04
APHTHAL
ENE
1186 C13H20 n- 169.683 1.1875E+0 -2.8301E- 3.0427E- 226 643 352.82

HEPTYLB 0 03 06
ENZENE
1187 C13H24 1- 440.407 -5.4103E- 1.3511E- – 269 537 398.96

TRIDECYN O1 03
E
1188 C13H26 1- 133.770 1.9000E+0 -4.7012E- 4.9057E- 251 608 412.38

TRIDECEN 0 03 06
E
1189 C13H26 1- 391.112 -3.7151E- 1.1034E- – 230 547 378.43

CYCLOPE 01 03
NTYLOCT
ANE
1190 C13H26 1- 401.460 -4.0417E- 1.1270E- – 244 548 381.14

CYCLOHE 01 03
XYLHEPT
ANE
1191 C13H26O 1- 74.377 2.4379E+0 -5.6713E- 5.4098E- 289 630 440.47

TRIDECAN 0 03 06
AL
1192 C13H26O n-BUTYL 175.844 2.0016E+0 -5.1618E- 5.6392E- 236 587 463.22
2 NONANO 0 03 06
ATE
1193 C13H26O METHYL 77.645 2.5348E+0 -5.9489E- 5.6820E- 279 641 455.19
2 DODECAN 0 03 06
OATE
1194 C13H28 n- 85.027 2.2008E+0 -5.3677E- 5.4016E- 269 608 407.21

TRIDECAN 0 03 06
E
1195 C13H28O 1- 66.215 2.8239E+0 -6.3310E- 5.7081E- 305 658 –

TRIDECAN 0 03 06
OL
1196 C13H28S BUTYL- 507.610 -5.5512E- 1.3570E- – 272 600 462.73

NONYL- 01 03
SULFIDE
1197 C13H28S DECYL- 507.610 -5.5512E- 1.3570E- – 272 600 462.73

PROPYL- 01 03
SULFIDE
1198 C13H28S DODECYL- 507.610 -5.5512E- 1.3570E- – 272 600 462.73

METHYL- 01 03
SULFIDE
1199 C13H28S ETHYL- 507.610 -5.5512E- 1.3570E- – 272 600 462.73

UNDECYL- 01 03
SULFIDE
1200 C13H28S 1- 502.923 -5.6338E- 1.3313E- – 283 594 453.29

TRIDECAN 01 03
ETHIOL
2 3
K)
1201 C14H8O2 ANTHRAQ -773.219 5.1936E+0 -8.2652E- 4.7346E- 560 810 –

UINONE 0 03 06
1202 C14H10 ANTHRAC -269.578 3.1196E+0 -5.3371E- 3.3589E- 490 786 –

ENE 0 03 06
1203 C14H10 DIPHENYL 74.380 1.3641E+0 -2.6965E- 2.1745E- 337 749 –

ACETYLE 0 03 06
NE
1204 C14H10 PHENANT 56.723 1.4209E+0 -2.6607E- 1.9757E- 373 782 –

HRENE 0 4J3 06
1205 C14H12 cis- 126.454 1.1465E+0 -2.5546E- 2.4261E- 269 681 305.50
STILBENE 0 03 06
1206 C14H12 trans- -127.759 2.6396E+0 -5.0660E- 3.7231E- 398 738 –

STILBENE 0 03 06
1207 C14H12O BENZYL 91.066 1.4869E+0 -3.0693E- 2.6897E- 294 738 332.84
2 BENZOAT 0 03 06
E
1208 C14H14 1,1- 147.196 1.0915E+0 -2.3979E- 2.3146E- 256 698 320.81
DIPHENYL 0 03 06
ETHANE
1209 C14H14 1,2- 49.681 1.7617E+0 -3.6946E- 3.1244E- 325 702 –

DIPHENYL 0 03 06
ETHANE
1210 C14H14O DIBENZYL 137.942 1.2915E+0 -2.8039E- 2.5860E- 278 699 342.31
ETHER 0 03 06
1211 C14H16 1-n- 177.544 1.0600E+0 -2.2934E- 2.1895E- 254 713 347.73
BUTYLNA 0 03 06
PHTHALE
NE
1212 C14H16 2- 344.536 -2.9530E- 7.5842E- – 269 592 323.91

BUTYLNA 01 04
PHTHALE
NE
1213 C14H22 n- 175.330 1.3630E+0 -3.1673E- 3.2877E- 238 656 387.29

OCTYLBE 0 03 06
NZENE
1214 C14H22 1,2,3,4- 445.373 -5.5941E- 1.3035E- – 286 554 394.46

TETRAET 01 03
HYLBENZ
ENE
1215 C14H22 1,2,3,5- 443.482 -5.5357E- 1.2951E- – 285 554 393.56

TETRAET 01 03
HYLBENZ
ENE
1216 C14H22 1,2,4,5- 441.767 -5.4981E- 1.2915E- – 284 553 392.64

TETRAET 01 03
HYLBENZ
ENE
1217 C14H22O p-tert- -64.720 3.0804E+0 -6.3791E- 5.1373E- 360 689 –

OCTYLPH 0 03 06
ENOL
1218 C14H28 1- 135.178 2.0938E+0 -5.0407E- 5.0893E- 261 623 446.24

TETRADE 0 03 06
CENE
1219 C14H28 1- 432.142 -4.4017E- 1.2106E- – 245 565 408.52

CYCLOPE 01 03
NTYLNON
ANE
1220 C14H28 1- 441.096 -4.6299E- 1.2227E- – 254 567 411.75

CYCLOHE 01 03
XYLOCTA
NE
1221 C14H28O n- 80.266 2.8162E+0 -6.0100E- 5.1299E- 329 680 –

2 TETRADE 0 03 06
CANOIC
ACID
1222 C14H30 n- 111.814 2.2092E+0 -5.2555E- 5.0865E- 280 623 438.12

TETRADE 0 03 06
CANE
1223 C14H30O 1- 78.050 2.9087E+0 -6.3668E- 5.6761E- 312 667 –

TETRADE 0 03 06
CANOL
1224 C14H30S BUTYL- 545.147 -6.0177E- 1.4364E- – 277 617 493.42

DECYL- 01 03
SULFIDE
1225 C14H30S DODECYL- 545.147 -6.0177E- 1.4364E- – 277 617 493.42

ETHYL- 01 03
SULFIDE
1226 C14H30S HEPTYL- 545.147 -6.0177E- 1.4364E- – 277 617 493.42

SULFIDE 01 03
1227 C14H30S METHYL- 545.147 -6.0177E- 1.4364E- – 277 617 493.42

TRIDECYL- 01 03
SULFIDE
1228 C14H30S PROPYL- 545.147 -6.0177E- 1.4364E- – 277 617 493.42

UNDECYL- 01 03
SULFIDE
1229 C14H30S 1- 530.238 -5.8177E- 1.3846E- – 280 609 479.88

TETRADE 01 03
CANETHI
OL
1230 C14H30S2 HEPTYL- 470.604 -3.7780E- 1.1063E- – 236 624 456.31

DISULFIDE 01 03
1231 C14H31N TETRADE 30.642 2.9495E+0 -6.6279E- 5.9265E- 312 650 –

CYLAMIN 0 03 06
E
1232 C15H10N DIPHENYL 92.853 1.5683E+0 -3.2530E- 2.7758E- 312 722 –

2O2 METHANE 0 03 06
-4,4'-
DIISOCYA
NATE
1233 C15H16O p- 77.060 1.9527E+0 -3.8275E- 3.0315E- 347 751 –

CUMYLPH 0 03 06
ENOL
1234 C15H16O BISPHEN -113.816 3.2404E+0 -5.9001E- 4.1160E- 427 764 –

2 OL A 0 03 06
1235 C15H18 1- 369.346 -2.8638E- 7.8730E- – 252 610 353.95

PENTYLN 01 04
APHTHAL
ENE
1236 C15H18 2- 384.577 -3.2852E- 8.3280E- – 270 613 360.66

PENTYLN 01 04
APHTHAL
ENE
1237 C15H24 n- 184.605 1.5629E+0 -3.5850E- 3.5802E- 250 667 426.78

NONYLBE 0 03 06
NZENE
1238 C15H24O 2,6-DI-tert- -67.389 3.4023E+0 -7.4333E- 6.2908E- 345 648 –

BUTYL-p- 0 03 06
CRESOL
1239 C15H24O NONYLPH 289.541 1.1436E+0 -2.6295E- 2.8767E- 201 881 473.00
ENOL 0 03 06
1240 C15H28 1- 514.760 -6.5678E- 1.5301E- – 284 571 454.96

PENTADE 01 03
CYNE
1241 C15H30 1- 132.592 2.3026E+0 -5.4038E- 5.3048E- 270 637 479.35

PENTADE 0 03 08
CENE
1242 C15H30 1- 467.727 -4.8710E- 1.2934E- – 252 583 437.47

CYCLOPE 01 03
NTYLDEC
ANE
1243 C15H30 1- 480.871 -5.2232E- 1.3177E- – 264 585 442.27

CYCLOHE 01 03
XYLNONA
NE
1244 C15H30O PENTADE 44.353 3.0864E+0 -6.5079E- 5.5809E- 327 689 –

2 CANOIC 0 03 06
ACID
1245 C15H32 n- 94.014 2.4973E+0 -5.8025E- 5.5554E- 284 636 470.02

PENTADE 0 03 06
CANE
1246 C15H32O 1- 449.127 -2.3525E- 5.8440E- – 318 608 –

PENTADE 01 04
CANOL
1247 C15H32S BUTYL- 585.948 -6.6504E- 1.5316E- – 285 633 523.81

UNDECYL- 01 03
SULFIDE
1248 C15H32S DODECYL- 585.948 -6.6504E- 1.5316E- – 285 633 523.81

PROPYL- 01 03
SULFIDE
1249 C15H32S ETHYL- 585.948 -6.6504E- 1.5316E- – 285 633 523.81

TRIDECYL- 01 03
SULFIDE
1250 C15H32S METHYL- 585.948 -6.6504E- 1.5316E- – 285 633 523.81

TETRADE 01 03
CYL-
SULFIDE
1251 C15H32S 1- 571.504 -6.5912E- 1.4928E- – 292 624 507.69

PENTADE 01 03
CANETHI
OL
1252 C16H10 FLUORAN 9.710 1.7567E+0 -3.1767E- 2.2852E- 384 815 –

THENE 0 03 06
1253 C16H10 PYRENE -84.718 2.2508E+0 -3.8750E- 2.5914E- 425 842 –

0 03 06
1254 C16H12 1- 111.333 1.4647E+0 -2.8900E- 2.3745E- 319 764 –

PHENYLN 0 03 06
APHTHAL
ENE
1255 C16H20 1-n- 218.069 1.2676E+0 -2.8689E- 2.5143E- 256 732 425.40
HEXYLNA 0 03 06
PHTHALE
NE
1256 C16H22O DIBUTYL 230.175 1.5996E+0 -3.4574E- 3.4963E- 239 703 492.41
4 PHTHALA 0 03 06
TE
1257 C16H26 n- 179.894 1.7867E+0 -4.0368E- 3.9135E- 260 678 457.48

DECYLBE 0 03 06
NZENE
1258 C16H26 PENTAET 456.054 -2.6062E- 6.1397E- – 329 580 –

HYLBENZ 01 04
ENE
1259 C16H30 1- 550.396 -7.0803E- 1.6120E- – 289 587 482.60

HEXADEC 01 03
YNE
1260 C16H32 n- 172.667 1.8606E+0 -4.1295E- 3.9414E- 272 676 464.79

DECYLCY 0 03 06
CLOHEXA
NE
1261 C16H32 1- 508.310 -5.5850E- 1.4006E- – 264 599 466.30

CYCLOPE 01 03
NTYLUND
ECANE
1262 C16H32 1- 123.396 2.3682E+0 -5.4376E- 5.2101E- 279 650 484.19

HEXADEC 0 03 06
ENE
1263 C16H32O n- 86.290 3.5237E+0 -7.3217E- 6.1001E- 337 698 –

2 HEXADEC 0 03 06
ANOIC
ACID
1264 C16H34 n- 89.101 2.7062E+0 -6.1478E- 5.7520E- 292 649 501.90

HEXADEC 0 03 06
ANE
1265 C16H34O DI-n- 203.551 2.3720E+0 -5.5593E- 5.5102E- 267 636 562.61
OCTYL 0 03 06
ETHER
1266 C16H34O 1- 71.293 3.2851E+0 -8.9805E- 6.0298E- 323 685 –

HEXADEC 0 03 06
ANOL
1267 C16H34S BUTYL- 622.149 -7.1360E- 1.6119E- – 289 648 552.68

DODECYL- 01 03
SULFIDE
1268 C16H34S ETHYL- 833.810 -7.9140E- 1.7468E- – 289 648 553.14

TETRADE 01 03
CYL-
SULFIDE
1269 C16H34S METHYL- 622.149 -7.1360E- 1.6119E- – 289 648 552.68

PENTADE 01 03
CYL-
SULFIDE
1270 C16H34S OCTYL- 622.149 -7.1360E- 1.6119E- – 289 648 552.68

SULFIDE 01 03
1271 C16H34S PROPYL- 822.149 -7.1360E- 1.6119E- – 289 648 552.68

TRIDECYL- 01 03
SULFIDE
1272 C16H34S 1- 599.552 -8.8922E- 1.5549E- – 292 637 532.28

HEXADEC 01 03
ANETHIOL
1273 C16H34S2 OCTYL- 526.898 -4.5120E- 1.2486E- – 245 649 503.36

DISULFIDE 01 03
1274 C17H28 n- 187.475 1.9638E+0 -4.3397E- 4.1164E- 269 888 496.30

UNDECYL 0 03 06
BENZENE
1275 C17H32 1- 588.957 -7.7667E- 1.7148E- – 296 602 509.82

HEPTADE 01 03
CYNE
1276 C17H34 1- 542.579 -6.0580E- 1.4824E- – 289 814 493.73

CYCLOPE 01 03
NTYLDOD
ECANE
1277 C17H34 1- 556.626 -6.3995E- 1.5012E- – 280 616 499.27

CYCLOHE 01 03
XYLUNDE
CANE
1278 C17H34 1- 137.993 2.6259E+0 -5.8785E- 5.5338E- 285 662 545.01

HEPTADE 0 03 06
CENE
1279 C17H36 n- 113.571 2.8548E+0 -6.3960E- 5.8757E- 296 660 551.90

HEPTADE 0 03 06
CANE
1280 C17H36O 1- 50.508 3.5963E+0 -7.5402E- 6.4420E- 328 693 –

HEPTADE 0 03 06
CANOL
1281 C17H36S BUTYL- 660.667 -7.7595E- 1.7050E- – 295 662 580.88

TRIDECYL- 01 03
SULFIDE
1282 C17H36S ETHYL- 660.867 -7.7595E- 1.7050E- – 295 662 580.88

PENTADE 01 03
CYL-
SULFIDE
1283 C17H36S HEXADEC 660.667 -7.7595E- 1.7050E- – 295 662 580.88

YL- 01 03
METHYL-
SULFIDE
1284 C17H36S PROPYL- 660.667 -7.7595E- 1.7050E- – 295 662 580.88

TETRADE 01 03
CYL-
SULFIDE
1285 C17H36S 1- 568.362 -2.2510E- 6.2055E- – 301 651 –

HEPTADE 01 04
CANETHI
OL
1286 C18H12 CHRYSEN -545.542 4.5719E+0 -7.0849E- 4.0640E- 532 881 –

E 0 03 06
1287 C18H14 m- 95.472 1.7783E+0 -3.1949E- 2.3623E- 361 832 –

TERPHEN 0 03 06
YL
1288 C18H14 o- 124.902 1.7078E+0 -3.2090E- 2.5419E- 330 802 –

TERPHEN 0 03 06
YL
1289 C18H14 p- -341.819 3.8714E+0 -6.4058E- 3.9822E- 466 833 –

TERPHEN 0 03 06
YL
1290 C18H15P TRIPHENY 257.405 9.1712E- -1.2998E- 1.0300E- 355 907 –

LPHOSPH 01 03 06
INE
1291 C18H15O TRIPHENY – – – – – – –

4P L
PHOSPHA
TE
1292 C18H16N N,N'- -14.857 2.7179E+0 -4.8050E- 3.3377E- 410 815 –

2 DIPHENYL 0 03 06
-p-
PHENYLE
NEDIAMIN
E
1293 C18H22 2,3- -192.217 3.8745E+0 -7.5618E- 5.6430E- 393 725 –

DIMETHY 0 03 06
L-2,3-
DIPHENYL
BUTANE
1294 C18H22O DICUMYL 210.066 1.5142E+0 -2.8880E- 2.3578E- 312 796 –

2 PEROXIDE 0 03 06
1295 C18H30 n- 202.922 2.0826E+0 -4.5475E- 4.2038E- 277 697 531.03

DODECYL 0 03 06
BENZENE
1296 C18H30 HEXAETH 523.506 -4.5337E- 8.1021E- – 402 601 –

YLBENZE 01 04
NE
1297 C18H32O LINOLEIC 241.348 2.3065E+0 -5.0663E- 4.7468E- 269 698 604.48
2 ACID 0 03 06
1298 C18H34 1- 546.793 -2.5083E- 8.7478E- – 301 616 –

OCTADEC 01 04
YNE
1299 C18H34O OLEIC 278.688 2.5434E+0 -5.4355E- 4.9240E- 288 703 684.32
2 ACID 0 03 06
1300 C18H34O DIBUTYL 236.231 2.5419E+0 -5.5054E- 5.3382 E- 265 891 645.20
4 SEBACAT 0 03 06
E
1301 C18H34O DIHEXYL 223.316 2.1857E+0 -4.7286E- 4.6434E- 260 690 577.90
4 ADIPATE 0 03 06
1302 C18H36 1- 582.090 -6.7530E- 1.5820E- – 279 629 521.38

CYCOPEN 01 03
TYLTRIDE
CANE
1303 C18H36 1- 594.223 -7.0157E- 1.5961E- – 287 631 526.93

CYCLOHE 01 03
XYLDODE
CANE
1304 C18H36 1- 126.330 2.8997E+0 -8.4067E- 5.8998E- 292 673 577.72

OCTADEC 0 03 06
ENE
1305 C18H36O STEARIC 99.012 3.5874E+0 -7.2484E- 5.9035E- 344 719 –

2 ACID 0 03 06
1306 C18H38 n- 151.154 2.7878E+0 -6.1542E- 5.5249E- 302 671 –

OCTADEC 0 03 06
ANE
1307 C18H38O DINONYL 350.435 1.5528E+0 -3.6072E- 4.0513E- 201 662 600.12
ETHER 0 03 06
1308 C18H38O 1- 73.560 3.8272E+0 -7.5319E- 6.3562E- 332 699 –

OCTADEC 0 03 06
ANOL
1309 C18H38S BUTYL- 697.648 -8.2713E- 1.7825E- – 299 676 –

TETRADE 01 03
CYL-
SULFIDE
1310 C18H38S ETHYL- 697.648 -8.2713E- 1.7825E- – 299 676 –

HEXADEC 01 03
YL-
SULFIDE
1311 C18H38S HEPTADE 697.848 -8.2713E- 1.7825E- – 299 676 –

CYL- 01 03
METHYL-
SULFIDE
1312 C18H38S NONYL- 697.648 -8.2713E- 1.7825E- – 299 676 –

SULFIDE 01 03
1313 C18H38S PENTADE 697.648 -8.2713E- 1.7825E- – 299 676 –

CYL- 01 03
PROPYL-
SULFIDE
1314 C18H38S 1- 591.688 -2.3207E- 6.3942E- – 302 663 –

OCTADEC 01 04
ANETHIOL
1315 C18H38S2 NONYL- 581.970 -5.2612E- 1.384 IE- – 253 672 548.15
DISULFIDE 01 03
1316 C19H26 1-n- 201.833 1.8464E+0 -3.7278E- 3.2462E- 285 764 507.01
NONYLNA 0 03 06
PHTHALE
NE
1317 C19H32 n- 167.086 2.4805E+0 -5.3327E- 4.8612E- 284 705 561.44

TRIDECYL 0 03 06
BENZENE
1318 C19H36 1- 573.768 -2.6805E- 7.0335E- – 307 630 –

NONADEC 01 04
YNE
1319 C19H36O METHYL 183.562 2.9014E+0 -6.2578E- 5.6990E- 294 688 643.39
2 OLEATE 0 03 06
1320 C19H38 1- 613.417 -7.1500E- 1.6521E- – 283 642 547.10

CYCLOPE 01 03
NTYLTET
RADECAN
E
1321 C19H38 1- 630.460 -7.5854E- 1.6822E- – 293 645 553.83

CYCLOHE 01 03
XYLTRIDE
CANE
1322 C19H38 1- 127.073 3.0234E+0 -6.5615E- 5.9422E- 298 684 602.71

NONADEC 0 03 06
ENE
1323 C19H38O NONADEC 90.383 3.4899E+0 -6.9781E- 5.6786E- 342 729 –

2 ANOIC 0 03 06
ACID
1324 C19H40 n- 118.433 3.2813E+0 -7.0875E- 6.3030E- 306 680 –

NONADEC 0 03 06
ANE
1325 C19H40O 1- 553.437 -2.9593E- 6.8477E- – 338 659 –

NONADEC 01 04
ANOL
1326 C19H40S BUTYL- 644.561 -2.5109E- 6.8360E- – 304 689 –

PENTADE 01 04
CYL-
SULFIDE
1327 C19H40S ETHYL- 644.561 -2.5109E- 6.8360E- – 304 589 –

HEPTADE 01 04
CYL-
SULFIDE
1328 C19H40S HEXADEC 644.561 -2.5109E- 6.8360E- – 304 689 –

YL- 01 04
PROPYL-
SULFIDE
1329 C19H40S METHYL- 644.561 -2.5109E- 6.8360E- – 304 689 –

OCTADEC 01 04
YL-
SULFIDE
1330 C19H40S 1- 616.944 -2.5008E- 8.6863E- – 308 675 –

NONADEC 01 04
ANETHIOL
1331 C20H16 TRIPHENY 141.784 1.8218E+0 -3.3616E- 2.5723E- 343 817 –

LETHYLE 0 03 06
NE
1332 C20H28 1-n- 206.361 1.9941E+0 -3.9778E- 3.4222E- 289 773 538.00
DECYLNA 0 03 06
PHTHALE
NE
1333 C20H30O ABIETIC -670.074 7.2834E+0 -1.3314E- 9.0556E- 448 749 –

2 ACID 0 02 06
1334 C20H31N DEHYDRO 250.971 2.7890E+0 -5.4341E- 4.4311E- 319 777 –

ABIETYLA 0 03 06
MINE
1335 C20H34 1- 573.751 -5.3762E- 1.2674E- – 290 657 526.12

PHENYLT 01 03
ETRADEC
ANE
1336 C20H38 1- 599.040 -2.8118E- 7.2846E- – 310 643 –

EICOSYNE 01 04
1337 C20H40 1- 655.491 -6.1490E- 1.8063E- – 291 655 573.09

CYCLOPE 01 03
NTYLPEN
TADECAN
E
1338 C20H40 1- 665.330 -8.1721E- 1.7693E- – 298 657 578.96

CYCLOHE 01 03
XYLTETR
ADECANE
1339 C20H40 1- 129.465 3.2494E+0 -6.9467E- 6.1932E- 303 694 –

EICOSENE 0 03 06
1340 C20H42 n- 122.226 3.4187E+0 -7.3226E- 6.4222E- 311 690 –

EICOSANE 0 03 06
1341 C20H42O 1- 129.055 3.8145E+0 -7.7934E- 6.4026E- 340 713 –

EICOSAN 0 03 06
OL
1342 C20H42S BUTYL- 870.841 -2.6868E- 7.1249E- – 309 701 –

HEXADEC 01 04
YL-
SULFIDE
1343 C20H42S DECYL- 670.841 -2.6868E- 7.1249E- – 309 701 –

SULFIDE 01 04
1344 C20H42S ETHYL- 670.841 -2.8868E- 7.1249E- – 309 701 –

OCTADEC 01 04
YL-
SULFIDE
1345 C20H42S HEPTADE 670.841 -2.6888E- 7.1249E- – 309 701 –

CYL- 01 04
PROPYL-
SULFIDE
1346 C20H42S METHYL- 070.841 -2.8868E- 7.1249E- – 309 701 –

NONADEC 01 04
YL-
SULFIDE
1347 C20H42S 1- 640.128 -2.6315E- 6.9182E- – 311 686 –

EICOSANE 01 04
THIOL
1348 C20H42S2 DECYL- 636.753 -6.0997E- 1.5285E- – 260 693 590.76

DISULFIDE 01 03
1349 C21H21O TRI-o- – – – – – – –

4P CRESYL
PHOSPHA
TE
1350 C21H36 1- 607.875 -6.0106E- 1.3706E- – 296 669 550.51

PHENYLP 01 03
ENTADEC
ANE
1351 C21H42 1- 686.835 -8.4813E- 1.8437E- – 295 667 597.86

CYCLOPE 01 03
NTYLHEX
ADECANE
1352 C21H42 1- 614.217 -2.5150E- 6.8235E- – 303 670 –

CYCLOHE 01 04
XYLPENT
ADECANE
1353 C22H38 1- 579.507 -1.8746E- 5.3794E- – 301 681 –

PHENYLH 01 04
EXADECA
NE
1354 C22H44 1- 639.511 -2.6718E- 7.0866E- – 308 682 –

CYCLOHE 01 04
XYLHEXA
DECANE
1355 C22H44O n-BUTYL 178.423 3.6670E+0 - 7.1017E- 300 688 –

2 STEARAT 0 7.9746E+0 06
E 0
1356 C24H38O DIISOOCT 288.702 2.7659E+0 -6.5170E- 4.6621E- 301 766 –

4 YL 0 03 06
PHTHALA
TE
1357 C24H38O DIOCTYL 370.524 1.9804E+0 -4.1602E- 4.2820E- 224 725 704.66
4 PHTHALA 0 03 06
TE
1358 C24H42O DINONYL 268.894 3.0425E+0 -5.9340E- 4.8935E- 301 797 –

PHENOL 0 03 06
1359 C26H20 TETRAPH -438.361 5.0591E+0 -7.9480E- 4.7206E- 497 896 –

ENYLETH 0 03 06
YLENE
1360 C28H46O DIISODEC 530.837 1.9576E+0 -3.9030E- 3.6707E- 229 798 864.83
4 YL 0 03 06
PHTHALA
TE
CP - heat capacity of liquid, Joule/(mol K)
A, B, C, and D - regression coefficients for chemical compound
T - temperature, K
TMIN - minimum temperature, K
TMAX - maximum temperature, K
Table 3-2 HEAT CAPACITY OF LIQUID - INORGANIC COMPOUNDS (Cp = A + BT + CT2 + D T3) (Cp - Joule/(mol K), T - K)
1 Ag SILVER 39.615 -1.1119E- 3.5364E- -2.0574E- 1234 5120 –

02 06 10
2 AgCl SILVER 61.723 1.6805E- -1.7007E- 5.3955E- 728 2394 –

CHLORIDE 02 05 09
3 AgI SILVER 54.778 1.3951 E- -1.5305E- 5.1269E- 825 2318 –

IODIDE 02 05 09
4 Al ALUMINU 39.028 -9.9702E- 3.4048E- -1.6971E- 933 5721 –

M 03 06 10
5 AlB3H12 ALUMINU – – – – – – –
M
BOROHYD
RIDE
6 AlBr3 ALUMINU -50.050 1.3697E+0 -3.4966E- 2.9198E- 390 610 –

N 0 03 06
BROMIDE
7 AlCl3 ALUMINU 29439.240 - 3.6554E- -2.4786E- 466 503 –

M 1.7942E+0 01 04
CHLORIDE 2
8 AlF3 ALUMINU 276.426 -2.3029E- 1.0619E- -1.3480E- 1313 2359 –

M 01 04 08
FLUORIDE
9 AlI3 ALUMINU 109.627 1.8446E- -5.2505E- 4.3380E- 464 786 –

M IODIDE 01 04 07
10 Al2O3 ALUMINU 401.249 -1.7736E- 4.5180E- -3.0999E- 2325 4268 –

M OXIDE 01 05 09
11 Al2S3O12 ALUMINU – – – – – – –
M
SULFATE
12 Ar ARGON 440.300 - 8.1712E- -2.0216E- 84 143 –

1.0095E+0 02 04
1
13 As ARSENIC – – – – – – –
14 AsBr3 ARSENIC 178.296 -2.0895E- 8.1465E- 3.0548E- 306 750 –

TRIBROMI 01 05 07
DE
15 AsCl3 ARSENIC 167.404 -2.8114E- 2.4063E- 3.8305E- 255 621 115.12

TRICHLOR 01 04 07
IDE
16 AsF3 ARSENIC 297.644 - 2.6960E- -1.1127E- 267 504 116.26

TRIFLUOR 1.3133E+0 03 06
IDE 0
17 AsF5 ARSENIC 339.768 - 8.9853E- -4.5162E- 193 340 158.26

PENTAFL 2.2900E+0 03 06
UORIDE 0
18 AsH3 ARSINE 124.870 -7.8635E- 2.7795E- -2.3029E- 156 354 76.46

01 03 06
19 AsI3 ARSENIC – – – – – – –
TRIIODIDE
20 As2O3 ARSENIC – – – – – – –
TRIOXIDE
21 At ASTATINE 179.451 -5.9492E- 8.2288E- -3.5570E- 575 877 –

01 04 07
22 Au GOLD 22.040 1.0159E- -4.9341 E- 7.7228E- 1337 3518 –

02 06 10
23 B BORON 44.678 -9.2975E- 1.8846E- -8.6700E- 2348 6348 –

03 06 11
24 BBr3 BORON 151.727 -2.4545E- 1.3117E- 6.4708E- 228 552 107.36

TRIBROMI 01 04 07
DE
25 BCl3 BORON 91.710 -2.5307E- 2.2522E- 4.2585E- 166 429 115.47

TRICHLOR 02 04 07
IDE
26 BF3 BORON 229.392 - 5.8510E- -1.3713E- 146 248 –

TRIFLUOR 1.6881E+0 03 06
IDE 0
27 BH2CO BORINE 96.959 -3.7101 E- 7.8022E- 1.1523E- 136 323 88.24

CARBONY 01 04 06
L
28 BH3O3 BORIC – – – – – – –
ACID
29 B2D6 DEUTERO 164.803 - 3.9201E- -1.5502E- 170 279 –

DIBORAN 1.1667E+0 03 06
E 0
30 B2H5Br DIBORAN 135.027 -1.8405E- -9.7790E- 1.4767E- 169 444 110.60

E 01 05 06
HYDROBR
OMIDE
31 B2H6 DIBORAN 113.027 -5.1807E- 1.5363E- 1.51226- 108 275 –

E 01 03 06
32 B3N3H6 BORINE 206.875 -5.3952E- 7.7322E- 5.7364E- 215 495 129.95

TRIAMINE 01 04 07
33 B4H10 TETRABO 110.148 -4.6499E- -4.4712E- 1.6870E- 153 443 101.25

RANE 02 04 06
34 B5H9 PENTABO 198.765 -5.4259E- 9.3825E- 7.6148E- 226 540 122.41

RANE 01 04 08
35 B5H11 TETRAHY 228.068 -6.1121E- 9.0301E- 4.0052E- 230 520 136.72

DROPENT 01 04 07
ABORANE
36 B10H14 DECABOR 957.219 - 6.5162E- -3.5033E- 373 633 –

ANE 3.6358E+0 03 06
0
37 Ba BARIUM 52.208 -1.7787E- 7.3625E- -4.7512E- 1000 2858 –

02 06 10
38 Be BERYLLIU 41.324 -1.2794E- 3.8763E- -2.5998E- 1560 4160 –

M 02 06 10
39 BeB2H8 BERYLLIU – – – – – – –
M
BOROHYD
RIDE
40 BeBr2 BERYLLIU 1915.718 - 7.0923E- -2.6455E- 763 973 –

M 6.2339E+0 03 06
BROMIDE 0
41 BeCl2 BERYLLIU 887.654 - 3.2132E- -1.2045E- 678 990 –

M 2.7540E+0 03 06
CHLORIDE 0
42 BeF2 BERYLLIU -1720.570 6.2543E+0 -7.1497E- 2.7221 E- 825 990 –

M 0 03 06
FLUORIDE
43 BeI2 BERYLLIU 1591.358 - 5.7324E- -2.1137E- 761 990 –

M IODIDE 5.0808E+0 03 06
0
44 Bi BISMUTH 34.049 -9.3007E- 4.8099E- -3.8013E- 544 3696 –

03 06 10
45 BiBr3 BISMUTH – – – – – – –
TRIBROMI
DE
46 BiCl3 BISMUTH – – – – – – –
TRICHLOR
IDE
47 BrF5 BROMINE 260.255 -5.9106E- 3.1250E- 2.1047E- 212 447 167.59

PENTAFL 01 04 06
UORIDE
48 Br2 BROMINE 165.688 -6.5579E- 1.3794E- -6.0832E- 266 555 76.66

01 03 07
49 C CARBON – – – – – – –
50 CCl2O PHOSGEN 148.648 -4.2379E- 7.8866E- 4.8919E- 145 432 105.39

E 01 04 07
51 CF2O CARBONY 463.524 - 1.9191E- -2.2284E- 166 282 –

L 4.8061E+0 02 05
FLUORIDE 0
52 CH4N2O UREA 965.507 - 1.0028E- -6.3799E- 406 564 –

5.0993E+0 02 06
0
53 CH4N2S THIOUREA 18.182 6.4960E- -1.1931 E- 9.1094E- 454 811 –

01 03 07
54 CNBr CYANOGE – – – – – – –
N
BROMIDE
55 CNCl CYANOGE 125.478 -1.0770E- -1.2687E- 3.1665E- 267 427 93.41

N 02 03 06
CHLORIDE
56 CNF CYANOGE 228.036 - 4.4216E- -2.7795E- 200 350 101.88

N 1.4944E+0 03 06
FLUORIDE 0
57 CO CARBON 125.595 - 1.0707E- 4.1854E- 68 126 –

MONOXID 1.7022E+0 02 06
E 0
58 COS CARBONY 86.329 -9.2189E- -1.1739E- 4.1043E- 134 378 88.01

L SULFIDE 03 03 06
59 COSe CARBON 208.225 - 3.0770E- -1.5229E- 200 366 96.09

OXYSELE 1.1581E+0 03 06
NIDE 0
60 CO2 CARBON -3981.020 5.2511E+0 -2.2708E- 3.2866E- 220 290 –

DIOXIDE 1 01 04
61 CS2 CARBON 94.329 -1.5208E- 2.1058E- 3.2259E- 164 540 76.25

DISULFIDE 01 04 07
62 CSeS CARBON 110.492 -6.3675E- -2.2469E- 8.2437E- 198 546 93.38

SELENOS 02 04 07
ULFIDE
63 C2N2 CYANOGE 273.325 - 4.1012E- -1.9851 E- 239 380 109.85

N 1.5946E+0 03 06
0
64 C3S2 CARBON – – – – – – –
SUBSULFI
DE
65 Ca CALCIUM 57.358 -3.6594E- 1.7589E- -2.1846E- 1115 2634 –

02 05 09
66 CaF2 CALCIUM 123.067 -7.3372E- -8.7482E- 3.1959E- 1691 3657 –

FLUORIDE 03 06 09
67 CbF5 COLUMBI – – – – – – –
UM
FLUORIDE
68 Cd CADMIUM 37.742 -2.2836E- 1.8623E- -3.7534E- 594 1833 –

02 05 09
69 CdCl2 CADMIUM 171.964 -1.4422E- 8.5079E- -9.0911E- 841 1616 –

CHLORIDE 01 05 09
70 CdF2 CADMIUM 91.946 2.2686E- -2.0834E- 6.0000E- 793 2637 –

FLUORIDE 02 05 09
71 CdI2 CADMIUM 122.814 -4.5555E- 6.4210E- 1.6731E- 658 1393 –

IODIDE 02 06 08
72 CdO CADMIUM – – – – – – –
OXIDE
73 ClF CHLORINE 142.655 -9.9143E- 3.6076E- -1.4201E- 128 268 –

MONOFLU 01 03 06
ORIDE
74 ClFO3 PERCHLO 78.590 1.3804E- -9.2420E- 2.9980E- 125 350 117.05

RYL 01 04 06
FLUORIDE
75 ClF3 CHLORINE 172.729 -5.2736E- 8.9492E- 6.1428E- 190 436 111.33

TRIFLUOR 01 04 07
IDE
76 ClF5 CHLORINE 242.074 - 2.7506E- -1.0820E- 190 395 137.51

PENTAFL 1.0746E+0 03 06
UORIDE 0
77 ClHO3S CHLOROS 140.318 1.6349E- -3.5109E- 7.0485E- 193 665 132.66

ULFONIC 02 04 07
ACID
78 ClHO4 PERCHLO 97.789 9.2028E- -2.8693E- 7.5547E- 172 599 119.74

RIC ACID 02 04 07
79 ClO2 CHLORINE 186.153 -8.0657E- 1.8068E- -5.0986E- 214 442 92.77

DIOXIDE 01 03 07
80 Cl2 CHLORINE 127.601 -6.0215E- 1.5776E- -5.3099E- 172 396 74.23

01 03 07
81 Cl2O CHLORINE 111.657 -1.3358E- -1.8421E- 1.5449E- 157 422 96.40

MONOXID 01 04 06
E
82 Cl2O7 CHLORINE 176.297 -2.3104E- -6.0715E- 1.6442E- 182 537 159.01

HEPTOXID 02 04 06
E
83 Co COBALT 50.685 -1.0565E- 3.1419E- -2.0959E- 1768 5919 –

02 06 10
84 CoCl2 COBALT 283.472 -3.8809E- 2.5473E- -4.9830E- 1008 1724 –

CHLORIDE 01 04 08
85 CoNC3O4 COBALT – – – – – – –
NITROSYL
TRICARBO
NYL
86 Cr CHROMIU 48.762 -8.5202E- 2.2133E- -1.2704E- 2180 6849 –

M 03 06 10
87 CrC6O6 CHROMIU – – – – – – –
M
CARBONY
L
88 CrO2Cl2 CHROMIU 133.278 6.7177E- -5.9599E- 1.1291E- 177 595 130.25

M 02 04 06
OXYCHLO
RIDE
89 Cs CESIUM 37.749 -1.6562E- 1.3078E- 9.0457E- 302 1638 –

02 05 10
90 CsBr CESIUM 84.805 -3.6931 E- -1.0394E- 6.6543E- 909 2050 –

BROMIDE 03 05 09
91 CsCl CESIUM 86.258 -6.5198E- -8.6203E- 6.2930E- 919 2050 –

CHLORIDE 03 06 09
92 CsF CESIUM 95.415 -3.2010E- 7.6367E- 3.1870E- 956 1986 –

FLUORIDE 02 06 09
93 CsI CESIUM 76.146 -2.5229E- -1.0173E- 6.3563E- 894 2024 –

IODIDE 03 05 09
94 Cu COPPER 30.283 4.8707E- -2.8866E- 5.3382E- 1358 4098 –

03 06 10
95 CuBr CUPROUS 63.087 1.6494E- -2.0332E- 7.5408E- 777 2121 –

BROMIDE 02 05 09
96 CuCl CUPROUS 49.489 4.8240E- -4.2532E- 1.2010E- 703 1948 –

CHLORIDE 02 05 08
97 CuCl2 CUPRIC 193.681 -1.8981E- 1.1338E- -1.4983E- 906 1608 –

CHLORIDE 01 04 08
98 CuI COPPER 68.360 6.4358E- -1.4481E- 6.5529E- 878 2097 –

IODIDE 03 05 09
99 DCN DEUTERIU 255.987 - 2.9514E- -1.4668E- 261 458 91.82

M 1.3002E+0 03 06
CYANIDE 0
100 D2 DEUTERIU 189.904 - 1.2676E+0 -1.9855E- 19 23 –

M 2.5841E+0 0 02
1
101 D2O DEUTERIU 463.373 - 5.3338E- -3.4321 E- 277 612 48.80

M OXIDE 2.6757E+0 03 06
0
102 Eu EUROPIU 46.324 -1.2855E- 5.6539E- -5.3980E- 1095 4120 –

M 02 06 10
103 F2 FLUORINE 83.829 -7.8518E- 5.2305E- 4.6617E- 53 137 –

01 03 06
104 F2O FLUORINE 58.551 5.6117E- -1.7926E- 1.1093E- 49 204 –

OXIDE 02 03 05
105 Fe IRON 63.677 -1.5748E- 3.8125E- -1.6110E- 1808 7472 –

02 06 10
106 FeC5O5 IRON 228.921 -5.1929E- 6.4325E- 3.8803E- 252 577 141.56
PENTACA 01 04 07
RBONYL
107 FeCl2 FERROUS 228.216 -2.6823E- 1.7289E- -3.0882E- 945 1893 –

CHLORIDE 01 04 08
108 FeCl3 FERRIC 1095.001 - 6.5061E- -3.1125E- 577 772 –

CHLORIDE 4.3838E+0 03 08
0
109 Fr FRANCIU 32.919 -2.5393E- -3.9538E- 7.4549E- 300 1285 –

M 03 06 09
110 Ga GALLIUM 29.054 -3.9678E- 1.4912E- -3.3666E- 303 6096 –

03 06 11
111 GaCl3 GALLIUM 93.606 4.6518E- -1.6817E- 1.8248E- 351 555 –

TRICHLOR 01 03. 06
IDE
112 Gd GADOLINI 133.256 -1.4211E- 6.6794E- -9.6818E- 1587 2646 –

UM 01 05 09
113 Ge GERMANI 31.272 -3.9632E- 1.1025E- -5.7618E- 1211 6720 –

UM 03 06 11
114 GeBr4 GERMANI 209.183 -3.3541 E- 2.7356E- 2.9745E- 299 703 –

UM 01 04 07
BROMIDE
115 GeCl4 GERMANI 182.720 -3.1903E- 2.3749E- 7.2826E- 224 545 128.01
UM 01 04 07
CHLORIDE
116 GeHCl3 TRICHLOR 140.720 -1.4616E- -1.1764E- 9.4426E- 202 532 111.71
O 01 04 07
GERMANE
117 GeH4 GERMANE 74.535 -1.9734E- 2.7866E- 1.8467E- 107 293 –

01 04 06
118 Ge2H6 DIGERMA 134.135 -6.9779E- -4.4032E- 1.6999E- 164 466 119.24
NE 02 04 06
119 Ge3H8 TRIGERM 168.171 1.0374E- -8.2277E- 1.5394E- 168 586 166.76
ANE 01 04 06
120 HBr HYDROGE -99.048 2.0735E+0 -8.9095E- 1.2673E- 188 345 63.04
N 0 03 05
BROMIDE
121 HCN HYDROGE 252.213 - 3.0625E- -1.1827E- 260 434 71.40

N 1.4144E+0 03 06
CYANIDE 0
122 HCl HYDROGE 73.993 -1.2946E- -7.8980E- 2.6409E- 165 308 98.37
N 01 05 06
CHLORIDE
123 HF HYDROGE 24.415 2.0382E- -9.4339E- 1.8975E- 190 438 51.61

N 01 04 06
FLUORIDE
124 HI HYDROGE 136.724 -7.2705E- 1.9425E- -1.0279E- 222 403 65.39

N IODIDE 01 03 06
125 HNO3 NITRIC 214.478 -7.6762E- 1.4970E- -3.0208E- 239 494 110.68
ACID 01 03 07
126 H2 HYDROGE 50.607 - 3.0930E- -4.1480E- 14 32 –

N 6.1136E+0 01 03
0
127 H2O WATER 92.053 -3.9953E- -2.1103E- 5.3469E- 273 615 75.55
02 04 07
128 H2O2 HYDROGE -15.248 6.7693E- -1.4948E- 1.2018E- 273 694 85.55
N 01 03 06
PEROXIDE
129 H2S HYDROGE 80.985 -1.2464E- -3.6053E- 1.6942E- 191 355 85.52
N 01 05 06
SULFIDE
130 H2SO4 SULFURIC 26.004 7.0337E- -1.3856E- 1.0342E- 298 879 139.95
ACID 01 03 06
131 H2S2 HYDROGE 125.844 -6.4965E- -3.2435E- 1.1672E- 183 515 108.58
N 02 04 06
DISULFIDE
132 H2Se HYDROGE 336.560 - 1.1266E- -1.2985E- 209 329 77.73

N 3.0726E+0 02 05
SELENIDE 0
133 H2Te HYDROGE 203.374 - 2.7510E- -1.4212E- 224 416 82.00

N 1.1010E+0 03 06
TELLURID 0
E
134 H3NO3S SULFAMI – – – – – – –

C ACID
135 He HELIUM-3 13.021 - 1.3057E+0 - 1 3 –

1.9604E+0 1 2.1265E+0
1 0
136 He HELIUM-4 20.743 5.4005E+0 - 1.5064E+0 2 5 –

0 7.5537E+0 0
0
137 Hf HAFNIUM 41.378 -2.2063E- 3.6408E- -1.4709E- 2506 9990 –

03 07 11
138 Hg MERCURY 30.388 -1.0980E- 9.4412E- 6.7418E- 234 1648 27.97

02 06 10
139 HgBr2 MERCURI 617.602 - 3.5985E- -1.7236E- 510 772 –

C 2.3963E+0 03 06
BROMIDE 0
140 HgCl2 MERCURI 898.706 - 5.6632E- -2.8002E- 550 752 –

C 3.7271E+0 03 06
CHLORIDE 0
141 HgI2 MERCURI 460.181 - 2.1514E- -9.3670E- 532 862 –

C IODIDE 1.5511E+0 03 07
0
142 IF7 IODINE 748.653 - 1.1750E- -7.9388E- 279 425 161.97

HEPTAFL 4.7652E+0 02 06
UORIDE 0
143 I2 IODINE 314.003 - 2.5657E- -1.4911 E- 387 655 –

1.3711E+0 03 06
0
144 In INDIUM 33.107 -5.9093E- 2.3041 E- -6.7111E- 430 5384 –

03 06 11
145 Ir IRIDIUM 47.311 -4.7730E- 8.6371 E- -3.7176E- 2719 9990 –

03 07 11
146 K POTASSIU 35.955 -1.6870E- 1.3313E- -1.8000E- 336 2112 –

M 02 05 09
147 KBr POTASSIU 83.136 -1.5270E- -1.2769E- 3.7604E- 1003 2158 –

M 02 06 09
BROMIDE
148 KCl POTASSIU 188.929 -1.8986E- 8.7872E- -8.9111E- 1044 2776 –

M 01 05 09
CHLORIDE
149 KF POTASSIU 102.150 -4.2533E- 1.4102E- 4.2341E- 1153 2313 –

M 02 05 10
FLUORIDE
150 KI POTASSIU 91.930 -2.7363E- 5.2787E- 3.0087E- 996 2081 –

M IODIDE 02 06 09
151 KOH POTASSIU 71.429 4.2195E- -4.8017E- 1.7182E- 679 2085 –

M 02 05 08
HYDROXI
DE
152 Kr KRYPTON 46.222 -1.9828E- -1.1330E- 8.6959E- 116 199 –

03 03 06
153 La LANTHAN 38.456 -4.1375E- 1.0175E- -4.1321E- 1193 7609 –

UM 03 06 11
154 LI LITHIUM 36.127 -1.3610E- 7.1002E- -2.2351 E- 454 3268 –

02 06 10
155 LiBr LITHIUM 63.897 1.1805E- -1.8001E- 7.4021 E- 820 2063 –

BROMIDE 02 05 09
156 LiCl LITHIUM 65.139 8.1102E- -1.4493E- 6.0732E- 887 2157 –

CHLORIDE 03 05 09
157 LiF LITHIUM 71.665 -4.5728E- -4.5210E- 2.7042E- 1143 2546 –

FLUORIDE 03 06 09
158 LiI LITHIUM 66.927 1.7582E- -2.6135E- 1.1257E- 719 1882 –

IODIDE 02 05 08
159 Lu LUTECIU 97.002 -6.9833E- 2.3955E- -2.4553E- 1936 3303 –

M 02 05 09
160 Mg MAGNESI 71.613 -6.2494E- 1.6395E- 6.8222E- 923 1793 –

UM 02 05 09
161 MgCl2 MAGNESI 102.090 -6.3316E- -9.3842E- 6.1211E- 985 2203 –

UM 03 06 09
CHLORIDE
162 MgO MAGNESI 602.235 -3.6437E- 7.5796E- -4.4385E- 3105 4760 –

UM OXIDE 01 05 09
163 Mn MANGAN 56.925 -1.2358E- 3.9700E- -2.8287E- 1519 5522 –

ESE 02 06 10
164 MnCl2 MANGAN 123.626 -4.6248E- 1.3019E- 4.0716E- 923 1906 –

ESE 02 05 09
CHLORIDE
165 Mo MOLYBDE 52.902 -8.8880E- 1.4542E- -5.2798E- 2895 7696 –

NUM 03 06 11
166 MoF6 MOLYBDE 403.709 - 3.8023E- -1.3783E- 290 473 156.76

NUM 1.8394E+0 03 06
FLUORIDE 0
167 MoO3 MOLYBDE 332.436 -4.0139E- 2.4240E- -4.2807E- 1068 1856 –

NUM 01 04 08
OXIDE
168 NCl3 NITROGE 192.643 -6.1039E- 1.0601 E- -6.3674E- 246 536 103.21
N 01 03 08
TRICHLOR
IDE
169 ND3 HEAVY 237.684 - 4.0877E- -2.3781 E- 199 369 105.85

AMMONIA 1.4495E+0 03 06
0
170 NF3 NITROGE 72.458 3.9006E- -1.8012E- 1.0334E- 66 222 –

N 02 03 05
TRIFLUOR
IDE
171 NH3 AMMONIA -182.157 3.3618E+0 -1.4398E- 2.0371E- 195 385 80.16
0 02 05
172 NH3O HYDROXY 468.200 - 3.8692E- -1.5822E- 306 545 –

LAMINE 2.1067E+0 03 06
0
173 NH4Br AMMONIU – – – – – – –

M
BROMIDE
174 NH4Cl AMMONIU – – – – – – –

M
CHLORIDE
175 NH4I AMMONIU – – – – – – –

M IODIDE
176 NH5O AMMONIU – – – – – – –

M
HYDROXI
DE
177 NH5S AMMONIU – – – – – – –

M
HYDROGE
NSULFIDE
178 NO NITRIC 9880.145 - 1.5107E+0 -3.4573E- 113 171 –

OXIDE 2.1310E+0 0 03
2
179 NOCl NITROSYL 181.178 -8.2714E- 1.9451E- -6.3093E- 214 419 90.75
CHLORIDE 01 03 07
180 NOF NITROSYL 136.591 -4.5808E- 8.3378E- 1.7172E- 139 335 119.64
FLUORIDE 01 04 06
181 NO2 NITROGE -916.569 9.0550E- -2.5996E- 2.5257E- 298 410 141.72
N DIOXIDE 01 02 05
182 N2 NITROGE 76.452 -3.5226E- -2.6690E- 5.0057E- 64 120 –

N 01 03 05
183 N2F4 TETRAFLU 111.713 -2.3800E- -1.4518E- 6.6483E- 112 294 –

OROHYDR 02 03 06
AZINE
184 N2H4 HYDRAZI 71.025 2.4083E- -8.2965E- 1.1247E- 275 620 98.89
NE 01 04 06
185 N2H4C AMMONIU 407.226 - 4.0513E- -1.6224E- 309 467 –

M 1.9783E+0 03 06
CYANIDE 0
186 N2H6CO2 AMMONIU – – – – – – –

M
CARBAMA
TE
187 N2O NITROUS 220.901 - 5.6320E- -3.6589E- 182 294 –

OXIDE 1.8908E+0 03 06
0
188 N2O3 NITROGE 149.838 -4.4366E- -1.5130E- 4.8628E- 170 404 131.00
N 02 03 06
TRIOXIDE
189 N2O4 NITROGE 397.502 - 4.3163E- -8.9910E- 262 410 142.57

N 2.0622E+0 03 07
TETRAOXI 0
DE
190 N2O5 NITROGE 341.495 - 2.8336E- -8.4240E- 303 490 –

N 1.4532E+0 03 07
PENTOXID 0
E
191 Na SODIUM 22.431 3.5211 E- -4.4481E- 1.6321E- 371 2444 –

02 05 08
192 NaBr SODIUM 133.301 -1.1628E- 5.3381 E- -5.3139E- 1020 3430 –

BROMIDE 01 05 09
193 NaCN SODIUM 69.087 3.8057E- -4.1570E- 1.3878E- 837 2320 –

CYANIDE 02 05 08
194 NaCl SODIUM 95.016 -3.1081E- 9.6789E- 5.5116E- 1074 3230 –

CHLORIDE 02 07 09
195 NaF SODIUM 47.103 1.9241 E- -6.2969E- 2.8598E- 1269 5254 –

FLUORIDE 02 06 09
196 NaI SODIUM 72.610 -6.1075E- -6.7740E- 5.1489E- 924 2055 –

IODIDE 03 06 09
197 NaOH SODIUM 87.639 -4.8368E- -4.5423E- 1.1863E- 600 2700 –

HYDROXI 04 06 09
DE
198 Na2SO4 SODIUM 233.515 -9.5276E- -3.4665E- 1.5771E- 1157 3515 –

SULFATE 03 05 08
199 Nb NIOBIUM 38.868 -3.2254E- 5.5151 E- -2.3346E- 2750 9990 –

03 07 11
200 Nd NEODYMI 53.558 -4.6994E- 1.1701E- -5.1290E- 1289 8532 –

UM 03 06 11
201 Ne NEON 179.694 - 2.9508E- -1.5396E- 25 42 –

1.2115E+0 01 03
1
202 NI NICKEL 56.355 -1.2849E- 3.9925E- -2.8218E- 1728 5589 –

02 06 10
203 NIC4O4 NICKEL 734.180 - 1.3029E- -1.1077E- 248 407 202.82

CARBONY 4.6820E+0 02 05
L 0
204 NiF2 NICKEL 666.230 -7.5541E- 3.3374E- -4.6949E- 1723 2623 –––-
FLUORIDE 01 04 08
205 Np NEPTUNI – – – – – – –
UM
206 O2 OXYGEN 46.432 3.9506E- -7.0522E- 3.9897E- 54 147 –

01 03 05
207 O3 OZONE 40.279 8.1284E- -4.6303E- 1.3033E- 90 248 –

01 03 05
208 Os OSMIUM 45.089 -5.1072E- 8.4646E- -3.6497E- 3306 9990 –

03 07 11
209 OsOF5 OSMIUM – – – – – – –

OXIDE
PENTAFL
UORIDE
210 OsO4 OSMIUM – – – – – – –

TETROXID
E-
YELLOW
211 OsO4 OSMIUM – – – – – – –

TETROXID
E - WHITE
212 P PHOSPHO 36.970 -5.8048E- 9.0422E- -3.3467E- 317 795 –

RUS - 02 05 08
WHITE
213 PBr3 PHOSPHO 131.023 1.0737E- -3.5824E- 6.7756E- 233 675 120.34
RUS 02 04 07
TRIBROMI
DE
214 PCl2F3 PHOSPHO 340.032 - 3.8192E- -1.5226E- 265 434 135.23

RUS 1.6902E+0 03 06
DICHLORI 0
DE
TRIFLUOR
IDE
215 PCl3 PHOSPHO 177.073 -4.6599E- 8.2800E- 1.8548E- 240 535 116.66
RUS 01 04 07
TRICHLOR
IDE
216 PCl5 PHOSPHO – – – – – – –

RUS
PENTACH
LORIDE
217 PH3 PHOSPHI 120.475 -7.7634E- 2.8214E- -1.6233E- 139 309 96.79
NE 01 03 06
218 PH4Br PHOSPHO 109.154 6.3133E- -7.3509E- 1.7678E- 140 477 109.49
NIUM 02 04 06
BROMIDE
219 PH4Cl PHOSPHO 2871.578 - 9.1944E- -9.4995E- 245 306 308.79

NIUM 2.7564E+0 02 05
CHLORIDE 1
220 PH4I PHOSPHO 322.737 - 2.9923E- -1.3427E- 292 513 114.22

NIUM 1.4722E+0 03 06
IODIDE 0
221 POCl3 PHOSPHO 194.159 -4.7684E- 1.0487E- -2.1262E- 274 572 139.40
RUS 01 03 07
OXYCHLO
RIDE
222 PSBr3 PHOSPHO – – – – – – –

RUS
THIOBRO
MIDE
223 PSCl3 PHOSPHO 170.596 -1.8690E- -3.1287E- 6.9512E- 237 607 130.52
RUS 01 05 07
THIOCHL
ORIDE
224 P4O6 PHOSPHO 341.331 -6.3516E- 6.3560E- 4.0286E- 296 679 219.14
RUS 01 04 07
TRIOXIDE
225 P4O10 PHOSPHO – – – – – – –

RUS
PENTOXID
E
226 P4S10 PHOSPHO 1211.094 - 2.2969E- -6.4517E- 561 1033 –

RUS 2.1879E+0 03 07
PENTASU 0
LFIDE
227 Pb LEAD 34.491 -7.7801E- 3.4152E- -2.0984E- 601 4320 –

03 06 10
228 PbBr2 LEAD 114.209 1.5383E- -4.5212E- 2.751 OE- 646 1547 –
BROMIDE 02 05 08
229 PbCl2 LEAD 145.729 -6.4904E- 2.1731E- 8.1624E- 774 1599 –

CHLORIDE 02 05 09
230 PbF2 LEAD 232.369 -2.1673E- 1.1455E- -1.6384E- 1128 2041 –

FLUORIDE 01 04 08
231 PbI2 LEAD 122.822 -1.7437E- -1.8626E- 2.1713E- 875 1492 –

IODIDE 02 05 08
232 PbO LEAD 100.294 -5.2676E- 2.0670E- -9.4681E- 1163 2274 –

OXIDE 02 05 10
233 PbS LEAD 490.517 -7.4455E- 4.2487E- -7.7903E- 1387 2025 –

SULFIDE 01 04 08
234 Pd PALLADIU 39.908 -4.3823E- 1.0119E- -4.6195E- 1828 8535 –

M 03 06 11
235 Po POLONIU 36.379 -1.4670E- 1.0312E- -1.4413E- 527 2410 –

M 02 05 09
236 Pt PLATINU 40.388 -3.6997E- 4.1239E- 5.3674E- 2042 5586 –

M 03 07 11
237 Ra RADIUM – – – – – – –
238 Rb RUBIDIUM 37.152 -2.0347E- 1.8127E- -3.4898E- 313 1600 –

02 05 09
239 RbBr RUBIDIUM 75.323 -6.8236E- -6.1573E- 4.7732E- 955 2117 –

BROMIDE 03 06 09
240 RbCl RUBIDIUM 74.142 -1.0286E- -3.3799E- 3.8837E- 988 2155 –

CHLORIDE 02 06 09
241 RbF RUBIDIUM 89.516 -2.0592E- 1.5492E- 3.2149E- 1033 2190 –

FLUORIDE 02 06 09
242 RbI RUBIDIUM 73.791 -4.0609E- -8.3953E- 5.5997E- 915 2055 –

IODIDE 03 0S 09
243 Re RHENIUM – – – – – – –
244 Re2O7 RHENIUM – – – – – – –

HEPTOXID
E
245 Rh RHODIUM 48.042 -4.4407E- 8.7824E- -3.5375E- 2237 9990 –

03 07 11
246 Rn RADON 53.121 -1.2264E- 1.2936E- 8.2668E- 202 359 49.97

01 04 07
247 Ru RUTHENIU 36.856 -3.5038E- 6.3786E- -2.7334E- 2607 9990 –

M 03 07 11
248 RuF5 RUTHENIU – – – – – – –

M
PENTAFL
UORIDE
249 S SULFUR 108.050 -2.3743E- 2.2729E- -5.9964E- 443 1247 –

01 04 08
250 SF4 SULFUR 161.219 -4.2384E- 2.9706E- 2.8834E- 149 346 137.68
TETRAFLU 01 04 06
ORIDE
251 SF6 SULFUR 1614.139 - 5.7400E- -6.3610E- 222 303 157.07

HEXAFLU 1.6346E+0 02 05
ORIDE 1
252 SOBr2 THIONYL 131.854 -3.6283E- -2.8115E- 7.2193E- 221 629 115.18
BROMIDE 02 04 07
253 SOCl2 THIONYL 118.818 -2.0658E- -3.7051 E- 1.0653E- 172 539 105.96
CHLORIDE 02 04 06
254 SOF2 SULFURO 163.384 -7.7319E- 1.9849E- -4.3363E- 163 353 108.15
US 01 03 08
OXYFLUO
RIDE
255 SO2 SULFUR 203.446 - 2.6113E- -1.0697E- 198 409 93.06

DIOXIDE 1.0537E+0 03 06
0
256 SO2Cl2 SULFURYL 176.168 -2.1659E- -3.0189E- 1.0404E- 222 436 136.48
CHLORIDE 01 05 06
257 SO3 SULFUR 5064.851 - 1.1959E- -1.1117E- 290 393 256.97

TRIOXIDE 4.1901E+0 01 04
1
258 S2Cl2 SULFUR 123.162 4.5179E- -4.6347E- 8.6402E- 193 626 118.33
MONOCH 02 04 07
LORIDE
259 Sb ANTIMON 38.280 -1.1202E- 4.8901E- -4.3762E- 904 4056 –

Y 02 06 10
260 SbBr3 ANTIMON 202.175 -3.6922E- 4.8373E- -1.0419E- 370 714 –

Y 01 04 07
TRIBROMI
DE
261 SbCl3 ANTIMON 214.359 -4.4810E- 4.3365E- 1.5743E- 347 754 –

Y 01 04 07
TRICHLOR
IDE
262 SbCl5 ANTIMON 247.892 -5.1771E- 5.8833E- 3.2025E- 278 629 154.32
Y 01 04 07
PENTACH
LORIDE
263 SbH3 STIBINE 112.882 -4.4438E- 1.1052E- -2.9859E- 185 418 70.72
01 03 07
264 SbI3 ANTIMON 206.905 -2.3740E- 2.1509E- 6.0243E- 440 878 –

Y 01 04 09
TRIIODIDE
265 Sb2O3 ANTIMON – – – – – – –

Y
TRIOXIDE
266 Sc SCANDIU 41.100 -7.4985E- 2.0970E- -1.2866E- 1814 6428 –

M 03 06 10
267 Se SELENIUM 50.628 -4.9239E- 4.1165E- -5.2086E- 494 1413 –

02 05 09
268 SeCl4 SELENIUM 418.234 - 2.0611 E- -6.8241 E- 400 707 –

TETRACH 1.3945E+0 03 07
LORIDE 0
269 SeF6 SELENIUM 521.512 - 1.1778E- -9.4441E- 238 350 125.94

HEXAFLU 3.9988E+0 02 06
ORIDE 0
270 SeOCl2 SELENIUM 176.321 -2.7503E- 2.0506E- 3.2930E- 282 871 121.28
OXYCHLO 01 04 07
RIDE
271 SeO2 SELENIUM – – – – – – –

DIOXIDE
272 Si SILICON 16.634 1.3656E- -5.7334E- 7.8271E- 1685 4127 –

02 06 10
273 SiBrCl2F BROMODI 130.232 -3.2357E- -5.3260E- 1.7311 E- 161 472 119.12
CHLOROF 02 04 06
LUOROSIL
ANE
274 SiBrF3 TRIFLUOR 268.919 - 5.0455E- -3.1338E- 203 357 117.60

OBROMOS 1.7333E+0 03 06
ILANE 0
275 SiBr2ClF DIBROMO 145.181 -3.2456E- -5.1834E- 1.5533E- 174 509 130.60
CHLOROF 02 04 06
LUOROSIL
ANE
276 SiClF3 TRIFLUOR 139.074 -5.1789E- 1.0735E- 1.9250E- 131 314 131.11
OCHLORO 01 03 06
SILANE
277 SiCl2F2 DICHLOR 122.470 -1.2816E- -4.1457E- 2.7333E- 133 371 119.85
ODIFLUOR 01 04 06
OSILANE
278 SiCl3F TRICHLOR 133.585 -6.6696E- -5.2185E- 2^0831 E- 152 437 122.52
OFLUORO 02 04 06
SILANE
279 SiCl4 SILICON 170.175 -1.7026E- -4.0824E- 1.8411E- 204 482 131.92
TETRACH 01 04 06
LORIDE
280 SiF4 SILICON 2140.088 - 1.1633E- -1.6111 E- 186 246 –

TETRAFLU 2.6918E+0 01 04
ORIDE 1
281 SiHBr3 TRIBROM 135.537 -1.5375E- -3.4581 E- 8.6226E- 200 580 123.07
OSILANE 02 04 07
282 SiHCl3 TRICHLOR 115.924 8.4832E- -1.0480E- 2.5710E- 145 455 118.20
OSILANE 02 03 06
283 SiHF3 TRIFLUOR 173.894 - 4.9431 E- -3.3017E- 142 276 –

OSILANE 1.3300E+0 03 06
0
284 SiH2Br2 DIBROMO 137.271 -1.6406E- -4.8843E- 8.6699E- 203 523 106.99
SILANE 01 05 07
285 SiH2Cl2 DICHLOR 106.133 -2.9755E- -5.6554E- 1.9803E- 151 427 99.48
OSILANE 02 04 06
286 SiH2F2 DIFLUORO 151.417 -1.0050E- 3.3413E- -1.6945E- 150 302 103.89
SILANE K)0 03 06
287 SiH2I2 DIIODOSIL 187.585 -2.8898E- 1.6334E- 4.9458E- 272 627 129.05
ANE 01 04 07
288 SiH3Br MONOBR 127.539 -3.6623E- 5.9877E- 6.1058E- 179 431 87.76
OMOSILA 01 04 07
NE
289 SiH3Cl MONOCH 111.792 -3.3048E- 4.9100E- 1.1515E- 155 377 87.42
LOROSILA 01 04 06
NE
290 SiH3F MONOFLU 161.642 - 5.1056E- -4.0023E- 150 272 –

OROSILAN 1.3357E+0 03 06
E 0
291 SiH3I IODOSILA 160.802 -4.6642E- 7.2389E- 3.7261 E- 216 489 95.96
NE 01 04 07
292 SiH4 SILANE 83.087 -3.3736E- 8.8970E- 2.6155E- 88 256 –

01 04 06
293 SiO2 SILICON 343.910 -2.8233E- 9.4498E- -9.0006E- 1883 3261 –

DIOXIDE 01 05 09
294 Si2Cl6 HEXACHL 303.025 -6.0011E- 6.3865E- 4.7265E- 272 628 193.40
ORODISIL 01 04 07
ANE
295 Si2F6 HEXAFLU 567.874 - 9.6950E- -6.3974E- 255 391 157.92

ORODISIL 3.6969E+0 03 06
ANE 0
296 Si2H5Cl DISILANY 302.034 - 2.8779E- -1.1496E- 250 482 123.99

L 1.3530E+0 03 06
CHLORIDE 0
297 Si2H6 DISILANE 120.754 -1.6259E- -8.0012E- 1.6528E- 141 410 108.97
01 05 06
298 Si2OCl3F3 TRICHLOR 171.753 5.7533E- -9.9486E- 2.5152E- 150 483 167.13
OTRIFLUO 02 04 06
RODISILO
XANE
299 Si2OCl6 HEXACHL 234.785 -2.2292E- -1.1141E- 9.5103E- 240 623 183.62
ORODISIL 01 04 07
OXANE
300 Si2OH6 DISILOXA 117.796 -5.2777E- -7.9248E- 2.8120E- 129 396 120.31
NE 03 04 06
301 Si3Cl8 OCTACHL 252.739 -5.3122E- -5.1185E- 9.5352E- 250 737 230.93
OROTRISI 03 04 07
LANE
302 Si3H8 TRISILAN 134.027 4.0684E- -7.2105E- 1.7761 E- 156 499 129.13
E 02 04 06
303 Si3H9N TRISILAZ 177.472 -3.7205E- -6.8654E- 2.1050E- 167 492 161.14
ANE 02 04 06
304 Si4H10 TETRASIL 186.279 5.1391E- -7.7967E- 1.6714E- 180 569 176.59
ANE 02 04 06
305 Sm SAMARIU 79.831 -2.8249E- 1.1464E- -1.1147E- 1345 4066 –

M 02 05 09
306 Sn TIN 32.185 -3.8132E- 1.1297E- 9.7579E- 505 5920 –

03 06 12
307 SnBr4 STANNIC 216.159 -3.0485E- 1.9892E- 3.3125E- 304 727 –

BROMIDE 01 04 07
308 SnCl2 STANNOU 101.457 -9.7B05E- -3.5809E- 4.1992E- 520 1168 –

S 03 05 08
CHLORIDE
309 SnCl4 STANNIC 197.452 -1.8537E- -1.1820E- 8.5095E- 243 496 160.37
CHLORIDE 01 04 07
310 SnH4 STANNIC 98.092 -1.2797E- -3.1437E- 2.7016E- 123 341 103.60
HYDRIDE 01 04 06
311 SnI4 STANNIC 267.087 -4.2069E- 4.8074E- -8.4231 E- 418 809 –

IODIDE 01 04 08
312 Sr STRONTIU 52.462 -2.1746E- 1.0468E- -1.2018E- 1050 3414 –

M 02 05 09
313 SrO STRONTIU 1393.S62 - 4.1132E- -4.3325E- 2703 3414 –

M OXIDE 1.2874E+0 04 08
0
314 Ta TANTALU 50.312 -4.5380E- 7.1533E- -2.9852E- 3290 9990 –

M 03 07 11
315 Tc TECNNETI 47.318 -3.4901 E- 6.2149E- -2.6106E- 2430 9990 –

UM 03 07 11
316 Te TELLURIU 41.053 -7.4313E- 4.3966E- -4.4035E- 723 3872 –

M 03 06 10
317 TeCl4 TELLURIU 571.987 - 1.8839E- -7.0713E- 497 867 –

M 1.4606E+0 03 07
TETRACH 0
LORIDE
318 TeF6 TELLURIU 415.124 - 8.3781 E- -6.0631 E- 235 361 121.35

M 2.9443E+0 03 06
HEXAFLU 0
ORIDE
319 Ti TITANIUM 64.889 -1.5128E- 3.5781 E- -1.7230E- 1941 5120 –

02 06 10
320 TiCl4 TITANIUM 167.628 -1.3344E- -2.2324E- 8.7538E- 249 606 131.20
TETRACH 01 04 07
LORIDE
321 Tl THALLIU 39.777 -1.1537E- 5.7637E- -4.3596E- 577 3718 –

M 02 06 10
322 TlBr THALLOU 105.945 -9.3797E- 6.0563E- -5.7640E- 733 1423 –

S 02 05 09
BROMIDE
323 TlI THALLOU 102619 -7.0163E- 3.8114E- 1.4728E- 713 1428 –

S IODIDE 02 05 09
324 Tm THULIUM 43.955 -1.1992E- 3.9977E- -3.1232E- 1818 5027 –

02 06 10
325 U URANIUM 41.409 -2.5172E- 5.4060E- -2.0495E- 1408 9990 –

03 07 11
326 UF6 URANIUM 7076.942 - 1.4726E- -1.2951E- 342 405 –

FLUORIDE 5.5326E+0 01 04
1
327 V VANADIU 53.424 -5.4286E- 1.1304E- -4.6992E- 2183 9430 –

M 03 06 11
328 VCl4 VANADIU 180.041 -2.2949E- 1.8695E- 3.1641E- 247 662 136.62
M 01 04 07
TETRACH
LORIDE
329 VOCl3 VANADIU 143.763 2.2399E- -4.9188E- 1.0313E- 194 604 134.20
M 02 04 06
OXYTRICH
LORIDE
330 W TUNGSTE 49.874 -7.1744E- 1.0698E- -4.2705E- 3695 9990 –

N 03 06 11
331 WF6 TUNGSTE 383.816 - 4.0558E- -1.5331 E- 273 445 152.35

N 1.8493E+0 03 06
FLUORIDE 0
332 Xe XENON 48.554 -7.0584E- -2.3703E- 2.6119E- 161 275 –

02 04 06
333 Yb YTTERBIU 49.209 -2.0206E- 9.4875E- -1.0677E- 1097 3493 –

M 02 06 09
334 Yt YTTRIUM 50.741 -6.9678E- 1.7585E- -9.1826E- 1799 7505 –

03 06 11
335 Zn ZINC 50.774 -3.5075E- 1.5935E- -1.6078E- 693 3012 –

02 05 09
336 ZnCl2 ZINC 134.016 -7.8300E- 3.5706E- 1.1410E- 638 1310 –

CHLORIDE 02 05 08
337 ZnF2 ZINC 145.678 -5.8528E- 1.8809E- 9.1413E- 1145 2306 –

FLUORIDE 02 05 10
338 ZnO ZINC – – – – – – –

OXIDE
339 ZnSO4 ZINC – – – – – – –

SULFATE
340 Zr ZIRCONIU 49.471 -5.1497E- 8.5190E- -9.9895E- 2128 7042 –

M 03 07 12
341 ZrBr4 ZIRCONIU 11832.940 - 5.7514E- -2.4424E- 723 821 –

M 4.4975E+0 02 05
BROMIDE 1
342 ZrCl4 ZIRCONIU 5534.857 - 2.5785E- -1.0725E- 710 787 –

M 2.0485E+0 02 05
CHLORIDE 1
343 ZrI4 ZIRCONIU 5621.564 - 2.2655E- -8.7732E- 772 917 –

M IODIDE 1.9348E+0 02 06
1
CP - heat capacity of liquid, Joule/(mol K)
A, B, C, and D - regression coefficients for chemical compound
T - temperature, K
TMIN - minimum temperature, K
TMAX - maximum temperature, K
For organic compounds, most of the estimates were based on group contribution (Cheuh-Swanson, 29), corresponding states
(Lee-Kesler, 29) and boiling point methods (Yaws and co-workers). The relation of (heat capacity)(densityn ) = constant was
utilized to extend both experimental data and estimates. Values of n ranged from 1/2 to 1. Experimental data and estimates
were then regressed to provide the same equation for all compounds.
For inorganic compounds, many of the estimates are based on the JANAF tables (57-59), Bureau of Mines bulletins (60-63), and
group contribution methods. The relation of (heat capacity)(densityn ) = constant was utilized to extend both experimental data
and estimates.
Very limited experimental data for liquid heat capacity are available at temperatures in the region of the melting point
temperature. Data in the boiling-critical point temperature interval are also very scarce. Thus, the values in the region of the
melting point and in the boiling-critical point temperature interval should be considered rough approximations. The values in the
intermediate region (above melting and below boiling point) are more accurate.
A comparison of correlation and actual data for liquid heat capacity is shown inFig. 3-1 for a representative chemical. The
graph discloses good agreement of correlation and data.
Figure 3-1 Heat Capacity of Liquid
3.4. EXAMPLES
The correlation results maybe used for prediction and calculation of heat capacity and additional thermodynamic properties.
Examples are given below.
Example 1 Estimate the liquid heat capacity of pentane (C5H12) at 298.15 K.
Substitution of the coefficients from the table and temperature into the equation for heat capacity yields
Example 2 Calculate the energy required to heat liquid toluene (C7H8) from 300 to 500 K.
From thermodynamics, the change in enthalpy, ΔH, at constant pressure is
Substitution of the coefficients from the table and the temperature limits into the equation yields
ΔH = (83.703) (500 - 300) + (5.1666E-01/2) (5002 - 3002 ) - (1.4910E-03/3) (5003 - 3003 ) + (1.9725E-06/4) (5004 - 3004 )
ΔH = 36,200 joule/mol
Portions of this material appeared in Hydrocarbon Processing, 70, 73 (December, 1991) and Chem. Eng., 99, 130 (April, 1992).
These portions are reprinted by special permission.
3.5. REFERENCES - ORGANIC COMPOUNDS

1-36. See REFERENCES - ORGANIC COMPOUNDS in Chapter 2, HEAT CAPACITY OF GAS
37. Altunin, V. V., V. Z. Geller, E. K. Petrov, D. C. Rasskazov, and G. A. Spiridonov, THERMOPHYSICAL PROPERTIES OF
FREONS. Methane Series, Part 1, Hemisphere Publishing Corporation, New York, NY (1987).
38. Altunin, V. V., V. Z. Geller, E. A. Kremenevskaya, I. I. Perelshtein, and E. K. Petrov, THERMOPHYSICAL PROPERTIES OF
FREONS. Methane Series, Part 2, Hemisphere Publishing Corporation, New York, NY (1987).
39. Wilhoit, R. C. and B. J. Zwolinski, PHYSICAL AND THERMODYNAMIC PROPERTIES OF ALIPHATIC ALCOHOLS. American
Chemical Society, American Institute of Physics, National Bureau of Standards, New York, NW (1973).
40. Yaws, C. L. and others, Hydrocarbon Processing, 70, 73 (December, 1991).
41. Yaws, C. L. and others, Chem. Eng., 29, 130 (April, 1992).
42. Yaws, C. L., HANDBOOK OF THERMODYNAMIC DIAGRAMS. Vols. 1, 2, 3, and 4, Gulf Publishing Co., Houston, TX (1996).
43. Yaws, C. L., HANDBOOK OF CHEMICAL COMPOUND DATA FOR PROCESS SAFETY. Gulf Publishing Co., Houston, TX
(1997).
3.6. REFERENCES - INORGANIC COMPOUNDS
1-64. See REFERENCES - INORGANIC COMPOUNDS in Chapter 2 HEAT CAPACITY OF GAS
65. Lyon, R. N., ed., LIQUID-METALS HANDBOOK. 2nd ed., Atomic Energy Commission, Washington, DC (1954).
66. Janz, G. J. and C. B. Allen, PHYSICAL PROPERTIES DATA COMPILATIONS RELEVANT TO ENERGY STORAGE. II,
MOLTEN SALTS: DATA ON SINGLE AND MULTICOMPONENT SALT SYSTEMS, Nat. Bur.Stand., Molten Salts Data Center,
Troy, NY (April 1979).
67. Fink, J. K., TABLES OF THERMODYNAMIC PROPERTIES OF SODIUM, Argonne National Lab., ANL-CEN-RSD-82-4,
Chemical Engineering Division, Argonne, IL (June, 1982).
68. Mills, K. C., THERMODYNAMIC DATAFOR INORGANIC SULPHIDES, SELENIDES AND TELLURIDES, Butterworths, London,
England (1974).
69. Tarakad, R. R. and R. P. Danner, AIChE J. 23(6), 944 (1977) and 22(5), 685, (1977).
70. Chueh, C. F. and A. C. Swanson, Chem. Eng. Prog. 69(7), 83 (1973).
71. Giauque, W. F. and T. M. Powell, J. Amer. Chem. Soc. 61, 1970 (1939).
72. Davis, C. M., Jr., J. Chem. Phys. 45(7), 2461 (1966).
73. Hu, J., D. White, and H. L. Johnston, J. Amer. Chem. Soc., 15, 5642 (1953).
74. Smith, T. O. and B. M. Fabuss, Wright Air Development Center, Technical Report 59-327 (1962).
75. Grosh, J. and M. S. Jhon, Proc. Nat. Acad. Sci. 54, 1004 (1965).
76. Hu, J. H. and D. White, J. Amer. Chem. Soc. 75, 1232 (1953).
77. Giauque, W. F. and R. Wieke, J. Amer. Chem. Soc., 51, 1441 (1929).
78. Forsythe, W. R. and W. F. Giauque, J. Amer. chem. Soc., 54, 48 (1948).
79. Evans, W. H. and R. Jacobson, J. Res. Nat. Bur. Stand., 55, 83 (1955).
80. Douglas, T. B. and A. F. Ball, J. Amer. Chem. Soc. 74, 2472 (1952).
81. Douglas, T. B. and L. F. Epstein, J. Amer. Chem. Soc., 77, 2144 (1955).
82. Haar, L. and J. S. Gallagher, J. Phys. Chem. Ref. Data, 7(3), 635 (1978).
83. Giauque, W. F. and J. O. Clayton, J. Amer. Chem. Soc., 55, 4875 (1933).
84. Wiebe, R. and M. J. Brevoort, J. Amer. Chem. Soc., 51, 622 (1930).
85. Scott, D. W. and G. D. Oliver, J. Amer. Chem. Soc., 71, 2293 (1949).
86. Giauque, W. F. and J. D. Kemp, J. Chem. Phys., 6, 40 (1938).
87. McCarty, R. D. and L. A. Weber, Nat. Bur. of Stand. Tech. Note 384, Washington DC (1971).
88. Giauque W. F. and H. L. Johnston, J. Amer. Chem. Soc., 51, 2300 (1929).
89. Jenkins, A. C. and F. S. Dipaolo, J. Chem. Phys., 25(2), 296 (1956).
90. Lee, B. I. and M. G. Kesler, AIChE J., 21(3), 510 (1975).
91. Ott, J. B. and W. F. Giauque, J. Amer. Chem. Soc., 52,1308 (1960).
92. McDonald, R. A., J. Chem. Eng. Data,12, 115 (1967).
93. Majer, V., V. Svoboda, and M. Lencka, J. Chem. Thermo., 17, 365 (1985).
94. Sherman, R. H. and W. F. Giauque, J. Amer. Chem. Soc., 77, 2154 (1955)
95. Clarke, J. T., E. B. Rifkin, and H. L. Johnston, J. Amer. Chem. Soc., 75, 781 (1953).
96. Jhon, J. S., J. Grosh, and H. Eyring, J. Phys. Chem., 71(7), 2533 (1967).
97. Pace E. L. and M. A. Reno, J. Chem. Phys., 48(3), 1231 (1968).
98. Pace, E. L. and M. A. Reno, J. Chem. Phys., 48(3), 1231 (1968).
99. Clayton, J. O. and W. F. Giauque, J. Amer. Chem. Soc., 54, 2610 (1932).
100. Kaischeu, R., Z. Phys. Chem., B40, 273 (1938).
101. Kemp, J. D. and W. F. Giauque, J. Amer. Chem. Soc., 59, 79 (1937).
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Heat Capacity of Liquid

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Heat Capacity of Liquid

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3.

HEAT CAPACITY OF LIQUID

Lamar University, Beaumont, Texas

3.3. HEAT CAPACITY CORRELATION

where CP = heat capacity of liquid, joule/(mol K)

A, B, C, and D = regression coefficients for chemical compound

1 CBrClF2 BROMOC 66.642 4.2713E- -1.7526E- 3.3738E- 115 384 127.81

2 CBrCl3 BROMOTR 32.285 7.1628E- -1.9205E- 2.0950E- 253 545 130.65

3 CBrF3 BROMOTR 53.868 5.8473E- -2.9409E- 6.6584E- 106 306 143.25

4 CBr2F2 DIBROMO 60.141 5.4837E- -1.9397E- 2.9706E- 164 430 129.94

5 CClF3 CHLOROT 47.972 5.5277E- -3.1183E- 8.0282E- 93 272 –

6 CClN CYANOGE -130.070 2.0318E+0 -6.6150E- 7.7883E- 268 404 94.09

7 CCl2F2 DICHLOR 53.463 4.6913E- -2.0770E- 4.2398E- 116 346 121.07

8 CCl2O PHOSGEN 53.075 4.5299E- -1.6906E- 2.8257E- 146 410 112.03

9 CCl3F TRICHLOR 29.120 3.0976E- -1.1066E- 1.7185E- 163 424 68.65

10 CCl4 CARBON 9.671 9.3363E- -2.6760E- 3.0425E- 251 501 130.72

11 CF2O CARBONY -33.419 1.9984E+0 -1.0073E- 1.9136E- 163 267 –

12 CF4 CARBON 25.395 9.8067E- -7.0731E- 2.1219E- 91 205 –

13 CHBr3 TRIBROM 23.678 7.1569E- -1.6914E- 1.6314E- 282 626 129.94

14 CHClF2 CHLOROD 44.503 4.7737E- -2.2107E- 4.5786E- 117 332 111.66

15 CHCl2F DICHLOR 51.597 4.1564E- -1.5739E- 2.7008E- 139 406 107.20

16 CHCl3 CHLOROF 28.296 6.5897E- -2.0353E- 2.5901E- 211 483 112.49

17 CHF3 TRIFLUOR 19.142 8.4432E- o4.6671E- 1.0607E- 119 269 –

18 CHI3 TRIIODOM 194.656 -9.1508E- 1.8580E- – 397 521 –

19 CHN HYDROGE -123.155 1.7769E- -5.8083E- 6.9129E- 261 411 73.52

21 CH2BrCl BROMOC 48.459 3.8479E- -1.1676E- 1.5606E- 186 501 100.75

22 CH2Br2 DIBROMO 38.738 4.8154E- -1.3291E- 1.5449E- 222 550 105.11

23 CH2ClF CHLOROF 86.915 -3.6025E- 2.6561E- – 141 294 99.78

24 CH2Cl2 DICHLOR 38.941 4.9008E- -1.6224E- 2.3069E- 179 459 101.98

25 CH2F2 DIFLUORO 21.136 7.0644E- -3.3337E- 6.4757E- 138 316 107.05

26 CH2I2 DIIODOME 49.637 5.5690E- -1.2500E- 1.1654E- 280 672 135.45

28 CH2O2 FORMIC -16.110 8.7229E- -2.3665E- 2.4454E- 283 522 98.40

29 CH3Br METHYL 25.042 4.9612E- -1.7627E- 2.5993E- 181 420 85.16

30 CH3Cl METHYL 11.381 8.2328E- -2.4353E- 3.8333E- 176 375 82.33

31 CH3Cl3Si METHYL 54.416 8.8694E- -2.8583E- 3.8406E- 196 465 166.56

32 CH3F METHYL 9.382 8.5352E- -4.4087E- 9.1708E- 132 286 –

33 CH3I METHYL 24.222 4.6459E- -1.4583E- 1.8792E- 208 475 82.91

34 CH3NO FORMAMI 36.786 5.1348E- -1.1422E- 1.0480E- 277 694 116.12

35 CH3NO2 NITROME 10.892 7.0067E- -1.9525E- 2.1877E- 246 529 104.22

38 CH4 METHANE -0.018 1.1982E+0 -9.8722E- 3.1670E- 92 172 –

39 CH4Cl2Si METHYL 66.188 6.8839E- -2.3767E- 3.3997E- 184 435 150.26

40 CH4O METHAN 40.152 3.1046E- -1.0291E- 1.4590E- 176 461 79.93

42 CH4S METHYL 46.472 3.7853E- -1.3865E- 2.2085E- 151 423 96.39

43 CH5ClSi METHYL 68.963 6.0183E- -2.3367E- 4.0231E- 140 398 147.31

44 CH5N METHYLA 13.565 9.0836E- -3.4881E- 5.2770E- 181 387 114.19

45 CH6Si METHYL 36.552 4.8720E- -2.3448E- 4.9668E- 117 317 105.02

46 CN4O8 TETRANIT -280.326 4.0096E+0 -1.1394E- 1.1966E- 288 486 219.46

47 CO CARBON -19.312 2.5072E+0 -2.8970E- 1.2745E- 69 120 –

48 COS CARBONY 31.903 3.9686E- -1.7527E- 3.324E-06 135 341 82.66

49 CO2 CARBON -338.956 5.2796E+0 -2.3279E- 3.5980E- 218 274 –

50 CS2 CARBON 39.938 2.3565E- -7.2098E- 1.0443E- 163 497 73.79

51 C2BrF3 BROMOTR -20.750 1.4074E+0 -5.1867E- 7.4525E- 201 389 135.33

52 C2Br2F4 1,2- 83.092 7.8843E- -2.7534E- 4.1741E- 164 439 184.03

53 C2ClF3 CHLOROT 58.305 6.4342E- -2.9048E- 5.9780E- 116 341 150.36

54 C2ClF5 CHLOROP -17.172 1.8274E+0 -8.0452E- 1.3663E- 175 318 174.61

55 C2Cl2F4 1,2- 17.180 8.2104E- -3.1756E- 4.9217E- 180 377 110.13

56 C2Cl3F3 1,1,2- -25.308 1.6488E+0 -5.2824E- 6.5167E- 239 439 169.44

57 C2Cl4 TETRACH 51.760 6.5780E- -1.6916E- 1.6652E- 252 558 146.95

58 C2Cl4F2 1,1,2,2- -122.474 2.3932E+0 -6.5504E- 6.6997E- 300 496 –

59 C2Cl4O TRICHLOR 78.666 6.5083E- -1.0623E- 2.3259E- 201 531 168.81

61 C2F4 TETRAFLU -2.266 1.5284E+0 -7.9070E- 1.6018E- -143 276 –

62 C2F6 HEXAFLU -152.829 3.8878E+0 -1.9409E- 3.5499E- 173 264 –

63 C2HBrClF HALOTHA 51.616 8.7711E- -2.7885E- 3.6941E- 201 469 163.15

64 C2HClF2 2- 48.550 8.0574E- -2.5591E- 4.7271E- 136 360 126.95