Chemical Properties of l-Valine, N-(p-toluoyl)-, methyl ester

l-Valine, N-(p-toluoyl)-, methyl ester

InChI
InChI=1S/C14H19NO3/c1-9(2)12(14(17)18-4)15-13(16)11-7-5-10(3)6-8-11/h5-9,12H,1-4H3,(H,15,16)
InChI Key
ZNSMVFOPAMKWML-UHFFFAOYSA-N
Formula
C14H19NO3
SMILES
COC(=O)C(NC(=O)c1ccc(C)cc1)C(C)C
Molecular Weight1
249.31
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Physical Properties

Property Value Unit Source
ΔfH°gas -544.07 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.69 kJ/mol Joback Calculated Property
IE 8.47 eV Relay (1.0) Calculated Property
logPoct/wat 1.922 Crippen Calculated Property
McVol 203.350 ml/mol McGowan Calculated Property
Inp 1894.00 NIST
Tboil 581.75 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 [280.59; 655.13] 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-1.25000e+00
Coefficient B1.20068e+00
Coefficient C-6.43660e-04
Coefficient D9.93600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 280.59 J/mol×K 273.00 Calculated Property
Cp,gas 347.36 J/mol×K 353.78 Calculated Property
Cp,gas 407.12 J/mol×K 434.56 Calculated Property
Cp,gas 460.16 J/mol×K 515.33 Calculated Property
Cp,gas 506.81 J/mol×K 596.11 Calculated Property
Cp,gas 547.38 J/mol×K 676.89 Calculated Property
Cp,gas 582.18 J/mol×K 757.67 Calculated Property
Cp,gas 611.53 J/mol×K 838.44 Calculated Property
Cp,gas 635.74 J/mol×K 919.22 Calculated Property
Cp,gas 655.13 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(4-methylbenzoyl)-, propyl ester. l-Valine, N-(m-toluoyl)-, methyl ester. l-Valine, N-(4-fluorobenzoyl)-, methyl ester. l-Valine, N-(4-bromobenzoyl)-, methyl ester. L-Valine, N-(4-methylbenzoyl)-, isobutyl ester. L-Valine, N-(4-methylbenzoyl)-, butyl ester. l-Valine, N-(3-fluorobenzoyl)-, methyl ester. L-Valine, N-(4-methylbenzoyl)-, pentyl ester. l-Valine, N-(2-chlorobenzoyl)-, methyl ester. l-Valine, N-(p-anisoyl)-, methyl ester. L-Valine, N-(4-methylbenzoyl)-, hexadecyl ester. L-Valine, N-(4-methylbenzoyl)-, undecyl ester. L-Valine, N-(4-methylbenzoyl)-, heptadecyl ester. L-Valine, N-(4-methylbenzoyl)-, pentadecyl ester. L-Valine, N-(4-methylbenzoyl)-, hexyl ester.

Find more compounds similar to l-Valine, N-(p-toluoyl)-, methyl ester.

Sources

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