Predicted properties of the compound entered.

ID MVPPADPHJFYWMZ-UHFFFAOYSA-N
Formula C6H5Cl
IUPAC Name chlorobenzene
SMILES Clc1ccccc1
Standard InChI InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
Standard InChIKey InChIKey=MVPPADPHJFYWMZ-UHFFFAOYSA-N
Cite this record http://www.chemrtp.com/chemical-info.ce?ID=MVPPADPHJFYWMZ-UHFFFAOYSA-N
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
Standard InChIKey (User Input) InChIKey=MVPPADPHJFYWMZ-UHFFFAOYSA-N
Non-Standard InChI InChI=1/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
Non-Standard InChIKey InChIKey=MVPPADPHJFYWMZ-UHFFFAOYAG
Other Names and Identifiers Chlorobenzene | 68411-45-0 | 50717-45-8 | 108-90-7 | 270644_ALDRICH | 312274_SIGMA | Chloorbenzeen [Dutch] | Benzene, chloro- | Chloorbenzeen | Chlorbenzene | Chlorbenzol | C06990 | Monochlorobenzene | Phenyl chloride | MCB | Monochloorbenzeen | AI3-07776 | Monochlorbenzol | Monoclorobenzene | NCI-C54886 | NSC8433 | WLN: GR | Chlorobenzene [UN1134] [Flammable liquid] | Chlorobenzenu [Czech] | Clorobenzene [Italian] | EINECS 203-628-5 | EPA Pesticide Chemical Code 056504 | HSDB 55 | I P Carrier T 40 | Monochloorbenzeen [Dutch] | Monochlorbenzol [German] | Monoclorobenzene [Italian] | NSC 8433 | RCRA waste no. U037 | Tetrosin SP | UN1134 | Chlorobenzene-UL-14C | 48506_SUPELCO | Benzene, chlorinated | Benzene, chloro derivs. | EINECS 270-127-6 | NCGC00091678-01 | c0105 | 23570_FLUKA | Benzene chloride | CHEBI:28097 | PhCl | Chlorobenzen | 101389_ALDRICH | ST5214500 | Chlorobenzene, mono- | 23568_FLUKA | Chlorobenzol | 284513_ALDRICH | Clorobenzene | 08650_FLUKA | InChI=1/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5 | 319996_SIAL | Monochlorbenzene | CCRIS 1357 | Chlorobenzen [Polish] | CP 27 | Caswell No. 183A
For more property data (~2,100 data sets per compound) with higher accuracy , try our new database.
Mol-Instincts Database
 
Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar75.7445cal/mol/K
Acentric Factor0.229516dimensionless
Critical Compressibility Factor0.269178dimensionless-
Critical Pressure46.0010bar
Critical Temperature632.9596K
Critical Volume3.0795e-4m3/mol
Enthalpy of Formation for Ideal Gas at 298.15K15.1947kcal/mol
Liquid Molar Volume at 298.15K1.0140e-4m3/mol
Molecular Weight112.5566g/mol-
Net Standard State Enthalpy of Combustion at 298.15K-705.9228kcal/mol-
Normal Boiling Point404.7449K
Melting Point235.9901K
Refractive Index1.5272dimensionless
Solubility Parameter at 298.15K9960.348cal(1/2)/m(3/2)
Standard State Absolute Entropy at 298.15K and 1bar48.3277cal/mol/K
Standard State Enthalpy of Formation at 298.15K and 1bar3.4730kcal/mol
Magnetic Susceptibility69.3430ppm
Polarizability14.1015A3
Flash Point320.6466K
Parachor241.2245cm3
Lower Flammability Limit Temperature313.1248K
Lower Flammability Limit Volume Percent1.3001vol%
Upper Flammability Limit Temperature346.6690K
Upper Flammability Limit Volume Percent7.9187vol%
Liquid Density at Normal Boiling Point8822.972mol/m3
Heat of Vaporization at 298.15K9.7594kcal/mol
Heat of Vaporization at Normal Boiling Point8.7655kcal/mol
Water Solubility-2.1529log(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