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

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

InChI
InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-13-14-19-29-25(28)23(20(2)3)26-24(27)22-17-15-21(4)16-18-22/h15-18,20,23H,5-14,19H2,1-4H3,(H,26,27)
InChI Key
JOMFLMSRHRLOHZ-UHFFFAOYSA-N
Formula
C25H41NO3
SMILES
CCCCCCCCCCCCOC(=O)C(NC(=O)c1ccc(C)cc1)C(C)C
Molecular Weight1
403.60
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Physical Properties

Property Value Unit Source
ΔfusH° 58.18 kJ/mol Joback Calculated Property
IE 8.47 eV Relay (1.0) Calculated Property
log10WS -6.68 Relay (1.0) Calculated Property
logPoct/wat 6.214 Crippen Calculated Property
McVol 358.340 ml/mol McGowan Calculated Property
Pc 973.52 kPa Joback Calculated Property
Inp [3013.00; 3013.00]   Show Hide
Inp 3013.00 NIST
Inp 3013.00 NIST
Tboil 667.77 K Relay (1.0) Calculated Property
Tfus 355.02 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 [513.94; 1222.63] 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-1.12490e+01
Coefficient B2.24568e+00
Coefficient C-1.24206e-03
Coefficient D2.30260e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 513.94 J/mol×K 273.00 Calculated Property
Cp,gas 637.96 J/mol×K 353.78 Calculated Property
Cp,gas 748.97 J/mol×K 434.56 Calculated Property
Cp,gas 847.69 J/mol×K 515.33 Calculated Property
Cp,gas 934.84 J/mol×K 596.11 Calculated Property
Cp,gas 1011.15 J/mol×K 676.89 Calculated Property
Cp,gas 1077.36 J/mol×K 757.67 Calculated Property
Cp,gas 1134.19 J/mol×K 838.44 Calculated Property
Cp,gas 1182.37 J/mol×K 919.22 Calculated Property
Cp,gas 1222.63 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Sources

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