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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [570.18; 650.67] J/mol×K [662.46; 853.33] Show Hide
Cp,gas 570.18 J/mol×K 662.46 Joback Calculated Property
Cp,gas 585.68 J/mol×K 694.27 Joback Calculated Property
Cp,gas 600.30 J/mol×K 726.08 Joback Calculated Property
Cp,gas 614.09 J/mol×K 757.89 Joback Calculated Property
Cp,gas 627.06 J/mol×K 789.71 Joback Calculated Property
Cp,gas 639.24 J/mol×K 821.52 Joback Calculated Property
Cp,gas 650.67 J/mol×K 853.33 Joback 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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