Chemical Properties of Benzoic acid, 2-[(phenylmethyl)amino]- (CAS 6622-55-5)

Benzoic acid, 2-[(phenylmethyl)amino]-

InChI
InChI=1S/C14H13NO2/c16-14(17)12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)
InChI Key
JGQKORRBYIBYOF-UHFFFAOYSA-N
Formula
C14H13NO2
SMILES
O=C(O)c1ccccc1NCc1ccccc1
Molecular Weight1
227.26
CAS
6622-55-5
Other Names
  • Anthranilic acid, N-benzyl-
  • N-Benzylanthranilic acid
  • N-Benzyl-o-aminobenzoic acid
  • 2-[(phenylmethyl)amino]benzoic acid
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfH°gas -180.50 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 34.95 kJ/mol Joback Calculated Property
IE 7.68 eV Relay (1.0) Calculated Property
log10WS -3.63 Relay (1.0) Calculated Property
logPoct/wat 2.997 Crippen Calculated Property
McVol 178.020 ml/mol McGowan Calculated Property
Tboil 631.58 K Relay (1.0) Calculated Property
Tc 952.43 K Relay (1.0) Calculated Property
Tfus 423.66 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [492.68; 552.68] J/mol×K [773.94; 1018.32] Show Hide
Cp,gas 492.68 J/mol×K 773.94 Joback Calculated Property
Cp,gas 505.01 J/mol×K 814.67 Joback Calculated Property
Cp,gas 516.29 J/mol×K 855.40 Joback Calculated Property
Cp,gas 526.61 J/mol×K 896.13 Joback Calculated Property
Cp,gas 536.05 J/mol×K 936.86 Joback Calculated Property
Cp,gas 544.72 J/mol×K 977.59 Joback Calculated Property
Cp,gas 552.68 J/mol×K 1018.32 Joback Calculated Property

Similar Compounds

Alpha,alpha'-bis(2-tert-butyl-anilino)-p-xylene. 2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoic acid. Aniline, 2-tert-butyl-n-(o-chlorobenzyl)-. Aniline, 2-tert-butyl-n-(o-chlorobenzyl). Dibenz[b,e]azepin, 5,6(11H)dihydro-. Furosemide-methelute. furosemide. Acetophenone, 2-phenyl-2-(4-methylphenylamino). Triamcinolone diacetate. N-Desmethylmianserin. 9,10-Dihydrophenanthrene-cis-9,10-diol, ferrocenylboronate. Norhydrocodone. Benazepril desethyl 3Me (Benazeprilate 3Me). Anthranilic acid, n-[(2-thioxo-benzothiazolin-3-yl)methyl]-. Lycoramine.

Find more compounds similar to Benzoic acid, 2-[(phenylmethyl)amino]-.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.