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

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

InChI
InChI=1S/C16H29NO3/c1-6-7-8-9-10-20-16(19)15(13(4)5)17-14(18)11-12(2)3/h11,13,15H,6-10H2,1-5H3,(H,17,18)
InChI Key
KQVAHKLHMYTIKP-UHFFFAOYSA-N
Formula
C16H29NO3
SMILES
CCCCCCOC(=O)C(NC(=O)C=C(C)C)C(C)C
Molecular Weight1
283.41
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Physical Properties

Property Value Unit Source
ΔfusH° 40.11 kJ/mol Joback Calculated Property
ΔvapH° 82.99 kJ/mol Relay (1.0) Calculated Property
log10WS -4.14 Relay (1.0) Calculated Property
logPoct/wat 3.217 Crippen Calculated Property
McVol 250.990 ml/mol McGowan Calculated Property
Pc 1479.29 kPa Joback Calculated Property
Inp [1991.00; 1991.00]   Show Hide
Inp 1991.00 NIST
Inp 1991.00 NIST
Tboil 562.34 K Relay (1.0) Calculated Property
Tc 776.99 K Relay (1.0) Calculated Property
Tfus 327.44 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [734.89; 820.85] J/mol×K [731.10; 918.55] Show Hide
Cp,gas 734.89 J/mol×K 731.10 Joback Calculated Property
Cp,gas 751.46 J/mol×K 762.34 Joback Calculated Property
Cp,gas 767.09 J/mol×K 793.58 Joback Calculated Property
Cp,gas 781.82 J/mol×K 824.83 Joback Calculated Property
Cp,gas 795.67 J/mol×K 856.07 Joback Calculated Property
Cp,gas 808.67 J/mol×K 887.31 Joback Calculated Property
Cp,gas 820.85 J/mol×K 918.55 Joback Calculated Property

Similar Compounds

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-(3-methylbut-2-enoyl)-, propyl ester. L-Valine, N-(3-methylbut-2-enoyl)-, isobutyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, pentadecyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, dodecyl ester. L-Valine, N-(5-chlorovaleryl)-, pentyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, butyl ester. L-Valine, N-(5-chlorovaleryl)-, butyl ester. L-Valine, N-(5-chlorovaleryl)-, isohexyl ester. l-Valine, n-pentafluoropropionyl-, undecyl ester. l-Valine, n-pentafluoropropionyl-, tetradecyl ester. L-Valine, N-pentafluoropropionyl-, decyl ester.

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

Sources

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