Chemical Properties of N-Benzylglycine ethyl ester (CAS 6436-90-4)

N-Benzylglycine ethyl ester

InChI
InChI=1S/C11H15NO2/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
InChI Key
ULOLIZHBYWAICY-UHFFFAOYSA-N
Formula
C11H15NO2
SMILES
CCOC(=O)CNCc1ccccc1
Molecular Weight1
193.24
CAS
6436-90-4
Other Names
  • Glycine, N-(phenylmethyl)-, ethyl ester
  • Benzylaminoacetic acid, ethyl ester
  • Ethyl N-benzylglycinate
  • ethyl N-(phenylmethyl)glycinate
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Physical Properties

Property Value Unit Source
ω 0.5459 Relay (1.0) Calculated Property
ΔfH°gas -297.92 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 27.75 kJ/mol Joback Calculated Property
ΔvapH° 76.24 kJ/mol Relay (1.0) Calculated Property
IE 8.46 eV Relay (1.0) Calculated Property
log10WS -1.41 Relay (1.0) Calculated Property
logPoct/wat 1.339 Crippen Calculated Property
McVol 159.510 ml/mol McGowan Calculated Property
Pc 2698.60 kPa Joback Calculated Property
Tboil 545.57 K Relay (1.0) Calculated Property
Tc 740.57 K Relay (1.0) Calculated Property
Tfus 265.78 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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.

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 414.20 K 1.30 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [214.10; 513.30] 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-1.68170e+01
Coefficient B9.91320e-01
Coefficient C-5.59800e-04
Coefficient D9.86000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 214.10 J/mol×K 273.00 Calculated Property
Cp,gas 268.19 J/mol×K 353.78 Calculated Property
Cp,gas 316.35 J/mol×K 434.56 Calculated Property
Cp,gas 358.87 J/mol×K 515.33 Calculated Property
Cp,gas 396.08 J/mol×K 596.11 Calculated Property
Cp,gas 428.29 J/mol×K 676.89 Calculated Property
Cp,gas 455.80 J/mol×K 757.67 Calculated Property
Cp,gas 478.93 J/mol×K 838.44 Calculated Property
Cp,gas 498.00 J/mol×K 919.22 Calculated Property
Cp,gas 513.30 J/mol×K 1000.00 Calculated Property

Similar Compounds

N-Benzoylglycine ethyl ester. N-Benzylaminoacetaldehyde diethylacetal. 1-Benzyl-3-carbethoxymethyl urea. «beta»-Alanine, N-(phenylmethyl)-, ethyl ester. Ethanol, 2-[(phenylmethyl)amino]-. Benzenemethanamine, N-ethyl-. GLYCINE, N-(4-METHYLBENZOYL)-, METHYL ESTER. 1,2-Ethanediamine, N-(phenylmethyl)-. Beta-alanine, n-benzyl-n-carboxymethyl, diethyl ester. Methyl-beta-benzylamino propionate. N-allylbenzylamine. Glycine, N-(4-butylbenzoyl)-, methyl ester. 1,2-Ethanediamine, N,N'-bis(phenylmethyl)-. N-Benzyl-2-phenethylamine. Benethamine.

Find more compounds similar to N-Benzylglycine ethyl ester.

Sources

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