Chemical Properties of L-Valine, N-(4-ethylbenzoyl)-, pentadecyl ester

L-Valine, N-(4-ethylbenzoyl)-, pentadecyl ester

InChI
InChI=1S/C29H49NO3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-23-33-29(32)27(24(3)4)30-28(31)26-21-19-25(6-2)20-22-26/h19-22,24,27H,5-18,23H2,1-4H3,(H,30,31)
InChI Key
KYKYQTLMVNYXJL-UHFFFAOYSA-N
Formula
C29H49NO3
SMILES
CCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1ccc(CC)cc1)C(C)C
Molecular Weight1
459.70
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Physical Properties

Property Value Unit Source
ΔfusH° 68.54 kJ/mol Joback Calculated Property
log10WS -7.81 Relay (1.0) Calculated Property
logPoct/wat 7.638 Crippen Calculated Property
McVol 414.700 ml/mol McGowan Calculated Property
Pc 776.34 kPa Joback Calculated Property
Inp [3431.00; 3431.00]   Show Hide
Inp 3431.00 NIST
Inp 3431.00 NIST
Tboil 688.03 K Relay (1.0) Calculated Property
Tfus 346.64 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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 [598.79; 1429.00] 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-1.48850e+01
Coefficient B2.62568e+00
Coefficient C-1.45966e-03
Coefficient D2.77860e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 598.79 J/mol×K 273.00 Calculated Property
Cp,gas 743.64 J/mol×K 353.78 Calculated Property
Cp,gas 873.28 J/mol×K 434.56 Calculated Property
Cp,gas 988.60 J/mol×K 515.33 Calculated Property
Cp,gas 1090.48 J/mol×K 596.11 Calculated Property
Cp,gas 1179.80 J/mol×K 676.89 Calculated Property
Cp,gas 1257.43 J/mol×K 757.67 Calculated Property
Cp,gas 1324.25 J/mol×K 838.44 Calculated Property
Cp,gas 1381.15 J/mol×K 919.22 Calculated Property
Cp,gas 1428.99 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(4-ethylbenzoyl)-, decyl ester. L-Valine, N-(4-ethylbenzoyl)-, dodecyl ester. L-Valine, N-(4-ethylbenzoyl)-, undecyl ester. L-Valine, N-(4-ethylbenzoyl)-, heptyl ester. L-Valine, N-(4-ethylbenzoyl)-, tetradecyl ester. L-Valine, N-(4-ethylbenzoyl)-, nonyl ester. L-Valine, N-(4-ethylbenzoyl)-, pentyl ester. L-Valine, N-(4-ethylbenzoyl)-, propyl ester. L-Valine, N-(4-methylbenzoyl)-, hexadecyl ester. L-Valine, N-(4-methylbenzoyl)-, dodecyl ester. L-Valine, N-(4-methylbenzoyl)-, heptadecyl ester. L-Valine, N-(4-methylbenzoyl)-, tetradecyl ester. L-Valine, N-(4-methylbenzoyl)-, pentadecyl ester. L-Valine, N-(4-methylbenzoyl)-, hexyl ester. L-Valine, N-(4-methylbenzoyl)-, undecyl ester.

Find more compounds similar to L-Valine, N-(4-ethylbenzoyl)-, pentadecyl ester.

Sources

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