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

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

InChI
InChI=1S/C27H45NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-21-31-27(30)25(22(2)3)28-26(29)24-19-17-23(4)18-20-24/h17-20,22,25H,5-16,21H2,1-4H3,(H,28,29)
InChI Key
OEOHXTKWCOKHOM-UHFFFAOYSA-N
Formula
C27H45NO3
SMILES
CCCCCCCCCCCCCCOC(=O)C(NC(=O)c1ccc(C)cc1)C(C)C
Molecular Weight1
431.65
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Physical Properties

Property Value Unit Source
ΔfusH° 63.36 kJ/mol Joback Calculated Property
IE 8.54 eV Relay (1.0) Calculated Property
log10WS -7.24 Relay (1.0) Calculated Property
logPoct/wat 6.994 Crippen Calculated Property
McVol 386.520 ml/mol McGowan Calculated Property
Pc 866.58 kPa Joback Calculated Property
Inp [3235.00; 3235.00]   Show Hide
Inp 3235.00 NIST
Inp 3235.00 NIST
Tboil 681.34 K Relay (1.0) Calculated Property
Tfus 357.60 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 [556.36; 1325.81] 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-1.30670e+01
Coefficient B2.43568e+00
Coefficient C-1.35086e-03
Coefficient D2.54060e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 556.36 J/mol×K 273.00 Calculated Property
Cp,gas 690.80 J/mol×K 353.78 Calculated Property
Cp,gas 811.13 J/mol×K 434.56 Calculated Property
Cp,gas 918.14 J/mol×K 515.33 Calculated Property
Cp,gas 1012.66 J/mol×K 596.11 Calculated Property
Cp,gas 1095.48 J/mol×K 676.89 Calculated Property
Cp,gas 1167.40 J/mol×K 757.67 Calculated Property
Cp,gas 1229.22 J/mol×K 838.44 Calculated Property
Cp,gas 1281.76 J/mol×K 919.22 Calculated Property
Cp,gas 1325.81 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Sources

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