Chemical Properties of Carbamic acid, n-(2-cyanoethyl)-, phenylmethyl ester

Carbamic acid, n-(2-cyanoethyl)-, phenylmethyl ester

InChI
InChI=1S/C11H12N2O2/c12-7-4-8-13-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6H,4,8-9H2,(H,13,14)
InChI Key
KTPATXCSHZCTMY-UHFFFAOYSA-N
Formula
C11H12N2O2
SMILES
N#CCCNC(=O)OCc1ccccc1
Molecular Weight1
204.23
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Physical Properties

Property Value Unit Source
ΔfH°gas -151.63 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.26 kJ/mol Joback Calculated Property
ΔvapH° 92.33 kJ/mol Relay (1.0) Calculated Property
log10WS -1.80 Relay (1.0) Calculated Property
logPoct/wat 1.826 Crippen Calculated Property
McVol 160.890 ml/mol McGowan Calculated Property
Tboil 593.78 K Relay (1.0) Calculated Property
Tfus 315.74 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [215.48; 489.78] 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 A1.83000e-01
Coefficient B9.26100e-01
Coefficient C-5.28800e-04
Coefficient D9.23000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 215.48 J/mol×K 273.00 Calculated Property
Cp,gas 265.72 J/mol×K 353.78 Calculated Property
Cp,gas 310.34 J/mol×K 434.56 Calculated Property
Cp,gas 349.63 J/mol×K 515.33 Calculated Property
Cp,gas 383.88 J/mol×K 596.11 Calculated Property
Cp,gas 413.39 J/mol×K 676.89 Calculated Property
Cp,gas 438.44 J/mol×K 757.67 Calculated Property
Cp,gas 459.33 J/mol×K 838.44 Calculated Property
Cp,gas 476.35 J/mol×K 919.22 Calculated Property
Cp,gas 489.78 J/mol×K 1000.00 Calculated Property

Similar Compounds

Carbamic acid, [2-(thiocarbamoyl)ethyl]-,benzyl ester. Hexanoic acid, 6-(carboxyamino)-, n-benzyl ester. GLYCINE, N-[(PHENYLMETHOXY)CARBONYL]-, METHYL ESTER. N-Z-L-Homoserine lactone. Dichlormate. Carbamic acid, N-methyl-, 2,3-dichlorobenzyl ester. 3-Piperidinecarbamic acid, 2,6-dioxo-, benzyl ester, (dl). (4R,5S)-(+)-4-Methyl-5-phenyl-2-oxazolidinone. N-BENZYLOXYCARBONYL-L-TYROSINE. Glutaric acid, 2,4,6-trichlorophenyl 3-nitrobenzyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 3-nitrobenzyl ester. Tyramine, iso-BOC, O-TBDMS. Octopamine, N-isoBOC, O-TBDMS. Glutaric acid, 2-fluorophenyl 3-nitrobenzyl ester. Glycine, 2-cyclohexyl-N-benzyloxycarbonyl-, isobutyl ester.

Find more compounds similar to Carbamic acid, n-(2-cyanoethyl)-, phenylmethyl ester.

Sources

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