Benzeneacetic acid

Other names: 2-Phenylacetic acid; Acetic acid, phenyl-; Benzenacetic

acid; Kyselina fenyloctova; NSC 125718; Phenylacetic acid;
Phenylethanoic acid; alpha-Toluic acid; omega-Phenylacetic acid.
InChI: InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChI Key: WLJVXDMOQOGPHL-UHFFFAOYSA-N
Formula: C8H8O2
SMILES: O=C(O)Cc1ccccc1
Molecular Weight: 136.15
CAS: 103-82-2

Physical Properties

Property Value Unit Source

cHsolid -3896.70 0.80 kJ/mol NIST Webbook

cHsolid -3897.00 kJ/mol NIST Webbook

cHsolid -3905.00 kJ/mol NIST Webbook

cHsolid -3910.00 kJ/mol NIST Webbook

fG -136.85 kJ/mol Joback Method

fHgas -236.73 kJ/mol Joback Method

fusH 16.20 kJ/mol Joback Method

subH 93.50 0.30 kJ/mol NIST Webbook

subH 99.00 0.60 kJ/mol NIST Webbook

vapH 79.10 0.30 kJ/mol NIST Webbook

IE 8.26 eV NIST Webbook

IE 8.26 eV NIST Webbook

IE 8.26 eV NIST Webbook

IE 8.72 eV NIST Webbook

IE 9.10 eV NIST Webbook

logPoct/wat 1.31 Crippen Method

Pc 4444.44 kPa Joback Method

 Property Value Unit Source

Tboil 538.70 K NIST Webbook

Tc 761.48 K Joback Method

Tfus 348.00 2.00 K NIST Webbook

Tfus 349.15 1.00 K NIST Webbook

Tfus 350.00 2.00 K NIST Webbook

Tfus 348.05 0.60 K NIST Webbook

Vc 0.40 m3/kg-mol Joback Method

Temperature Dependent Properties

Property Value Unit Temperature (K) Source

Cp,gas 236.77 J/molK 555.17 Joback Method

0.00 Pas 555.17 Joback Method

fusH 15.20 kJ/mol 349.2 NIST Webbook

fusH 14.49 kJ/mol 349.9 NIST Webbook

fusH 14.49 kJ/mol 349.9 NIST Webbook

fusH 16.50 kJ/mol 350.8 NIST Webbook

subH 98.60 0.40 kJ/mol 313.0 NIST Webbook

vapH 65.00 kJ/mol 454.5 NIST Webbook

Sources

Joback Method: https://en.wikipedia.org/wiki/Joback_method

NIST Webbook:
http://webbook.nist.gov/cgi/inchi/InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
Crippen Method: http://pubs.acs.org/doi/abs/10.1021/ci990307l

Legend

cHsolid: Standard solid enthalpy of combustion (kJ/mol).

Cp,gas: Ideal gas heat capacity (J/molK).
: Dynamic viscosity (Pas).
fG: Standard Gibbs free energy of formation (kJ/mol).
fHgas: Enthalpy of formation at standard conditions (kJ/mol).
fusH: Enthalpy of fusion at standard conditions (kJ/mol).
fusH: Enthalpy of fusion at a given temperature (kJ/mol).
subH: Enthalpy of sublimation at standard conditions (kJ/mol).
subH: Enthalpy of sublimation at a given temperature (kJ/mol).
vapH: Enthalpy of vaporization at standard conditions (kJ/mol).
vapH: Enthalpy of vaporization at a given temperature (kJ/mol).
IE: Ionization energy (eV).
logPoct/wat: Octanol/Water partition coefficient .
Pc: Critical Pressure (kPa).
Tboil: Normal Boiling Point Temperature (K).
Tc: Critical Temperature (K).
Tfus: Normal melting (fusion) point (K).
Vc: Critical Volume (m3/kg-mol).

Latest version available from:

https://www.chemeo.com/cid/61-396-5/Benzeneacetic%20acid
Generated by Chemo on Sat, 18 Mar 2017 08:07:01 +0000.
Chemo (https://www.chemeo.com) is the biggest free database of chemical and physical data for the
process industry.