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
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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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [220.32; 549.18] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-5.99590e+01
Coefficient B1.24350e+00
Coefficient C-8.54360e-04
Coefficient D2.20000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 220.32 J/mol×K 273.00 Calculated Property
Cp,gas 282.77 J/mol×K 353.78 Calculated Property
Cp,gas 337.13 J/mol×K 434.56 Calculated Property
Cp,gas 384.08 J/mol×K 515.33 Calculated Property
Cp,gas 424.31 J/mol×K 596.11 Calculated Property
Cp,gas 458.53 J/mol×K 676.89 Calculated Property
Cp,gas 487.43 J/mol×K 757.67 Calculated Property
Cp,gas 511.71 J/mol×K 838.44 Calculated Property
Cp,gas 532.06 J/mol×K 919.22 Calculated Property
Cp,gas 549.18 J/mol×K 1000.00 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

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