4/24/2017 dihydrogen|ChemicalDetails|MolInstinctsRealTime

lChemicalRealTimePredictorforExtensiveChemicalProperties

Contact Us Search

Predicted properties of the compound Predict another compound

entered.

ID UFHFLCQGNIYNRP-UHFFFAOYSA-N

Formula H2

IUPAC Name dihydrogen

SMILES [H][H]

Standard InChI InChI=1S/H2/h1H

Standard InChIKey InChIKey=UFHFLCQGNIYNRP-UHFFFAOYSA-N

Cite this record http://realtime.molinstincts.com/chemical-info.ce?ID

=UFHFLCQGNIYNRP-UHFFFAOYSA-N

Other Names and Identi ers

Standard InChI (User Input) InChI=1S/H2/h1H

Standard InChIKey (User Input) InChIKey=UFHFLCQGNIYNRP-UHFFFAOYSA-N

Non-Standard InChI InChI=1/H2/h1H

Non-Standard InChIKey InChIKey=UFHFLCQGNIYNRP-UHFFFAOYAN

Molecular hydrogen | 12385-13-6 | Molecular hydrogen | 00473_FLUKA | monoatomic hydroge

Other Names and Identi ers n | 295396_ALDRICH | ETNAM H HYDROGEN ATOM | C00282 | CHEBI:33251 | atomic hydrogen
| H2 | CHEBI:18276 | Hydrogen atom | Hydrogen, atomic | Dihydrogen

This prediction is based on QSPR only and is the rst basic approximate estimation.

For more property data (~2,100 data sets per compound) with higher accuracy,
Mol-Instincts Database
try our new database.

Property Value Unit Accuracy

Absolute Entropy of Ideal Gas at 298.15K and 1bar 41.8942 cal/mol/K

Acentric Factor -0.037000 dimensionless

Critical Compressibility Factor 0.025414 dimensionless -

Critical Pressure 58.1368 bar

Critical Temperature 188.7397 K

Critical Volume 6.8600e-6 m3/mol

Enthalpy of Formation for Ideal Gas at 298.15K -3.2303 kcal/mol

Liquid Molar Volume at 298.15K N/A m3/mol

Molecular Weight 2.0159 g/mol -

-
http://realtime.molinstincts.com/chemicalinfo.ce?ID=UFHFLCQGNIYNRPUHFFFAOYSAN 1/2
4/24/2017 dihydrogen|ChemicalDetails|MolInstinctsRealTime
Net Standard State Enthalpy of Combustion at 298.15K -54.6091 kcal/mol -

Normal Boiling Point 20.8895 K

Melting Point 88.3475 K

Refractive Index 2.1125 dimensionless

Solubility Parameter at 298.15K 4525.175 cal(1/2)/m(3/2)

Standard State Absolute Entropy at 298.15K and 1bar 41.8942 cal/mol/K

Standard State Enthalpy of Formation at 298.15K and 1bar -3.2303 kcal/mol

Magnetic Susceptibility -12.0838 ppm

Polarizability 1.8112 A3

Flash Point 65.3016 K

Parachor 18.2059 cm3

Lower Flammability Limit Temperature 80.4514 K

Lower Flammability Limit Volume Percent 4.8584 vol%

Upper Flammability Limit Temperature 93.6241 K

Upper Flammability Limit Volume Percent 15.4272 vol%

Liquid Density at Normal Boiling Point 3.0035e+4 mol/m3

Heat of Vaporization at 298.15K N/A kcal/mol

Heat of Vaporization at Normal Boiling Point 0.723290 kcal/mol

Water Solubility -14.4854 log(mol/L)

Forprofessionalapplications,tryournewchemicaldatabasebasedo
nquantummechanicsmore property data(~2,100datasetsperco MolInstinctsDatabase
mpound)withhigher accuracy.

Additional Information Link

1H NMR prediction Link from www.nmrdb.org

13C NMR prediction Link from www.nmrdb.org

COSY predictionn Link from www.nmrdb.org

HSQC/HMBC prediction Link from www.nmrdb.org

All prediction Link from www.nmrdb.org

About Mol-Instincts License Agreement Privacy Policy Contact Us

USA ChemEssen, INC. Suite 1677, 1321 Upland Drive, Houston, TX 77043 U.S.
T: +1-800-413-5613 l F: +1-800-413-5613 l E: sta@molinstincts.com

KOREA 812, 8th Flr. AceHighTechCity 2-Cha, 25 Seonyu-ro 13-gil, Yeongdeungpo-gu, 07282 Seoul, S. Korea,
T: +82-2-3143-5933 l F: +82-2-3143-5920 l E: sta@molinstincts.com

CHINA KOTRA 3110, Maxdo Center, 8 Xingyi-Road, Shanghai, China

T: +86-21-5108-8771(Ext.170) l M: +86-151-2118-1868 l E: sta@molinstincts.com Copyright 2014 ChemEssen, Inc. All Rights Reserved.

http://realtime.molinstincts.com/chemicalinfo.ce?ID=UFHFLCQGNIYNRPUHFFFAOYSAN 2/2