Predicted properties of the compound entered.

ID OFBQJSOFQDEBGM-UHFFFAOYSA-N
Formula C5H12
IUPAC Name pentane
SMILES CCCCC
Standard InChI InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
Standard InChIKey InChIKey=OFBQJSOFQDEBGM-UHFFFAOYSA-N
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
Standard InChIKey (User Input) InChIKey=OFBQJSOFQDEBGM-UHFFFAOYSA-N
Non-Standard InChI InChI=1/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
Non-Standard InChIKey InChIKey=OFBQJSOFQDEBGM-UHFFFAOYAN
Other Names and Identifiers Pentane | 109-66-0 | 68476-43-7 | 8031-35-4 | 102056-77-9 | 68476-55-1 | 68647-60-9 | 68475-60-5 | 34497_RIEDEL | Pentane Fraction | EINECS 270-684-5 | Hydrocarbons, C4-6, C5-rich | Pentane, pentene fraction | CH3-[CH2]3-CH3 | CHEBI:37830 | 442746_SUPELCO | InChI=1/C5H12/c1-3-5-4-2/h3-5H2,1-2H | EINECS 270-695-5 | Pentanes (petroleum) | Hydrocarbons, C>4 | 158941_ALDRICH | 236705_ALDRICH | AI3-28785 | Amyl hydride | Caswell No. 642AA | EINECS 203-692-4 | EPA Pesticide Chemical Code 098001 | HSDB 109 | NSC 72415 | Pentan [Polish] | Pentanen [Dutch] | Pentanes [UN1265] [Flammable liquid] | Pentani [Italian] | Tetrafume | Tetrakil | Tetraspot | UN1265 | NCGC00091116-01 | Hydrocarbons, C5-rich | NSC72415 | Pentan | Pentanen | Pentani | Skellysolve A | WLN: 5H | n-Pentane | EINECS 271-960-8 | 76866_FLUKA | Alkanes, C4-5 | 76869_FLUKA | EINECS 270-654-1 | 34894_RIEDEL | LNK | 76870_FLUKA | 34956_SIAL | 16504_RIEDEL | Pentane mixture of Isomers | 76871_FLUKA | 154954_ALDRICH | 32288_RIEDEL | 76878_FLUKA | 76880_FLUKA
For more property data (~2,100 data sets per compound) with higher accuracy , try our new database.
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar83.7495cal/mol/K
Acentric Factor0.251914dimensionless
Critical Compressibility Factor0.277988dimensionless-
Critical Pressure34.3855bar
Critical Temperature463.0617K
Critical Volume3.1126e-4m3/mol
Enthalpy of Formation for Ideal Gas at 298.15K-33.9734kcal/mol
Liquid Molar Volume at 298.15K1.1574e-4m3/mol
Molecular Weight72.1488g/mol-
Net Standard State Enthalpy of Combustion at 298.15K-777.9736kcal/mol-
Normal Boiling Point309.6043K
Melting Point143.4961K
Refractive Index1.3514dimensionless
Solubility Parameter at 298.15K7262.829cal(1/2)/m(3/2)
Standard State Absolute Entropy at 298.15K and 1bar63.3106cal/mol/K
Standard State Enthalpy of Formation at 298.15K and 1bar-39.6411kcal/mol
Magnetic Susceptibility61.6630ppm
Polarizability9.7855A3
Flash Point225.5280K
Parachor231.4780cm3
Lower Flammability Limit Temperature224.1615K
Lower Flammability Limit Volume Percent1.3705vol%
Upper Flammability Limit Temperature253.1238K
Upper Flammability Limit Volume Percent8.8315vol%
Liquid Density at Normal Boiling Point8423.867mol/m3
Heat of Vaporization at 298.15K6.2069kcal/mol
Heat of Vaporization at Normal Boiling Point6.2170kcal/mol
Water Solubility-3.0961log(mol/L)
For professional applications, try our new chemical database based on quantum mechanics - more property data (~2,100 data sets per compound) with higher accuracy.

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Additional Information Link
1H NMR predictionLink from www.nmrdb.org
13C NMR predictionLink from www.nmrdb.org
COSY predictionnLink from www.nmrdb.org
HSQC/HMBC predictionLink from www.nmrdb.org
All predictionLink from www.nmrdb.org