Chemical Properties of L-Valine, N-(4-methylbenzoyl)-, undecyl ester

L-Valine, N-(4-methylbenzoyl)-, undecyl ester

InChI
InChI=1S/C24H39NO3/c1-5-6-7-8-9-10-11-12-13-18-28-24(27)22(19(2)3)25-23(26)21-16-14-20(4)15-17-21/h14-17,19,22H,5-13,18H2,1-4H3,(H,25,26)
InChI Key
XTRAXVUWIFCFRE-UHFFFAOYSA-N
Formula
C24H39NO3
SMILES
CCCCCCCCCCCOC(=O)C(NC(=O)c1ccc(C)cc1)C(C)C
Molecular Weight1
389.57
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Physical Properties

Property Value Unit Source
ΔfusH° 55.59 kJ/mol Joback Calculated Property
IE 8.44 eV Relay (1.0) Calculated Property
log10WS -6.41 Relay (1.0) Calculated Property
logPoct/wat 5.823 Crippen Calculated Property
McVol 344.250 ml/mol McGowan Calculated Property
Pc 1034.57 kPa Joback Calculated Property
Inp [2905.00; 2905.00]   Show Hide
Inp 2905.00 NIST
Inp 2905.00 NIST
Tboil 660.89 K Relay (1.0) Calculated Property
Tfus 353.76 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 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 [492.72; 1171.04] 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-1.03400e+01
Coefficient B2.15068e+00
Coefficient C-1.18766e-03
Coefficient D2.18360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 492.72 J/mol×K 273.00 Calculated Property
Cp,gas 611.55 J/mol×K 353.78 Calculated Property
Cp,gas 717.89 J/mol×K 434.56 Calculated Property
Cp,gas 812.46 J/mol×K 515.33 Calculated Property
Cp,gas 895.93 J/mol×K 596.11 Calculated Property
Cp,gas 968.99 J/mol×K 676.89 Calculated Property
Cp,gas 1032.35 J/mol×K 757.67 Calculated Property
Cp,gas 1086.68 J/mol×K 838.44 Calculated Property
Cp,gas 1132.68 J/mol×K 919.22 Calculated Property
Cp,gas 1171.04 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(4-methylbenzoyl)-, tetradecyl ester. L-Valine, N-(4-methylbenzoyl)-, hexyl ester. L-Valine, N-(4-methylbenzoyl)-, pentadecyl ester. L-Valine, N-(4-methylbenzoyl)-, dodecyl ester. L-Valine, N-(4-methylbenzoyl)-, hexadecyl ester. L-Valine, N-(4-methylbenzoyl)-, heptadecyl ester. L-Valine, N-(4-methylbenzoyl)-, pentyl ester. L-Valine, N-(4-methylbenzoyl)-, butyl ester. L-Valine, N-(3-methylbenzoyl)-, undecyl ester. L-Valine, N-(3-methylbenzoyl)-, dodecyl ester. L-Valine, N-(4-methylbenzoyl)-, isohexyl ester. L-Valine, N-(4-methylbenzoyl)-, propyl ester. L-Valine, N-(4-ethylbenzoyl)-, pentadecyl ester. L-Valine, N-(4-ethylbenzoyl)-, decyl ester. L-Valine, N-(4-ethylbenzoyl)-, nonyl ester.

Find more compounds similar to L-Valine, N-(4-methylbenzoyl)-, undecyl ester.

Sources

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