Chemical Properties of L-Valine, N-(3-methylbut-2-enoyl)-, propyl ester

L-Valine, N-(3-methylbut-2-enoyl)-, propyl ester

InChI
InChI=1S/C13H23NO3/c1-6-7-17-13(16)12(10(4)5)14-11(15)8-9(2)3/h8,10,12H,6-7H2,1-5H3,(H,14,15)
InChI Key
QOVHIZMKMNZFNV-UHFFFAOYSA-N
Formula
C13H23NO3
SMILES
CCCOC(=O)C(NC(=O)C=C(C)C)C(C)C
Molecular Weight1
241.33
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Physical Properties

Property Value Unit Source
ΔfH°gas -682.70 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 32.34 kJ/mol Joback Calculated Property
ΔvapH° 73.92 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.047 Crippen Calculated Property
McVol 208.720 ml/mol McGowan Calculated Property
Pc 1870.79 kPa Joback Calculated Property
Inp [1708.00; 1708.00]   Show Hide
Inp 1708.00 NIST
Inp 1708.00 NIST
Tboil 537.12 K Relay (1.0) Calculated Property
Tc 739.58 K Relay (1.0) Calculated Property
Tfus 329.64 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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 [300.23; 694.25] 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 A5.39200e+00
Coefficient B1.26400e+00
Coefficient C-7.11200e-04
Coefficient D1.36060e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 300.23 J/mol×K 273.00 Calculated Property
Cp,gas 369.58 J/mol×K 353.78 Calculated Property
Cp,gas 431.53 J/mol×K 434.56 Calculated Property
Cp,gas 486.52 J/mol×K 515.33 Calculated Property
Cp,gas 534.97 J/mol×K 596.11 Calculated Property
Cp,gas 577.32 J/mol×K 676.89 Calculated Property
Cp,gas 613.99 J/mol×K 757.67 Calculated Property
Cp,gas 645.42 J/mol×K 838.44 Calculated Property
Cp,gas 672.03 J/mol×K 919.22 Calculated Property
Cp,gas 694.25 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(3-methylbut-2-enoyl)-, isobutyl ester. L-Valine, N-(3-methylbut-2-enoyl)-, hexyl ester. L-Valine, N-(3-methylbut-2-enoyl)-, heptyl ester. L-Valine, N-(3-methylbut-2-enoyl)-, dodecyl ester. L-Valine, N-(3-methylbut-2-enoyl)-, undecyl ester. L-Valine, N-(3-methylbut-2-enoyl)-, isohexyl ester. L-Valine, N-(trifluoroacetyl)-, butyl ester. L-Valine, N-(5-chlorovaleryl)-, butyl ester. L-Valine, N-pentafluoropropionyl-, propyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, butyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, isobutyl ester. L-Valine, N-(5-chlorovaleryl)-, pentyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, pentadecyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, dodecyl ester. L-Valine, N-(5-chlorovaleryl)-, isobutyl ester.

Find more compounds similar to L-Valine, N-(3-methylbut-2-enoyl)-, propyl ester.

Sources

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