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

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

InChI
InChI=1S/C16H23NO3/c1-5-10-20-16(19)14(11(2)3)17-15(18)13-8-6-12(4)7-9-13/h6-9,11,14H,5,10H2,1-4H3,(H,17,18)
InChI Key
FDJPADAZDGHMDT-UHFFFAOYSA-N
Formula
C16H23NO3
SMILES
CCCOC(=O)C(NC(=O)c1ccc(C)cc1)C(C)C
Molecular Weight1
277.36
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Physical Properties

Property Value Unit Source
ΔfusH° 34.87 kJ/mol Joback Calculated Property
logPoct/wat 2.703 Crippen Calculated Property
McVol 231.530 ml/mol McGowan Calculated Property
Pc 1824.72 kPa Joback Calculated Property
Inp [2113.00; 2113.00]   Show Hide
Inp 2113.00 NIST
Inp 2113.00 NIST
Tboil 604.31 K Relay (1.0) Calculated Property
Tc 822.28 K Relay (1.0) Calculated Property
Tfus 352.04 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [323.01; 758.31] 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-3.06800e+00
Coefficient B1.39068e+00
Coefficient C-7.52460e-04
Coefficient D1.23160e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 323.01 J/mol×K 273.00 Calculated Property
Cp,gas 400.20 J/mol×K 353.78 Calculated Property
Cp,gas 469.27 J/mol×K 434.56 Calculated Property
Cp,gas 530.62 J/mol×K 515.33 Calculated Property
Cp,gas 584.63 J/mol×K 596.11 Calculated Property
Cp,gas 631.70 J/mol×K 676.89 Calculated Property
Cp,gas 672.22 J/mol×K 757.67 Calculated Property
Cp,gas 706.56 J/mol×K 838.44 Calculated Property
Cp,gas 735.13 J/mol×K 919.22 Calculated Property
Cp,gas 758.31 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(4-methylbenzoyl)-, butyl ester. L-Valine, N-(4-methylbenzoyl)-, isobutyl ester. L-Valine, N-(4-methylbenzoyl)-, pentyl ester. L-Valine, N-(4-methylbenzoyl)-, pentadecyl ester. L-Valine, N-(4-methylbenzoyl)-, hexyl ester. L-Valine, N-(4-methylbenzoyl)-, dodecyl ester. L-Valine, N-(4-methylbenzoyl)-, heptadecyl ester. L-Valine, N-(4-methylbenzoyl)-, hexadecyl ester. L-Valine, N-(4-methylbenzoyl)-, undecyl ester. L-Valine, N-(4-methylbenzoyl)-, tetradecyl ester. L-Valine, N-(4-ethylbenzoyl)-, propyl ester. L-Valine, N-(4-methylbenzoyl)-, isohexyl ester. L-Valine, N-(4-fluorobenzoyl)-, propyl ester. L-Valine, N-(4-fluorobenzoyl)-, butyl ester. l-Valine, N-(p-toluoyl)-, methyl ester.

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

Sources

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