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

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

InChI
InChI=1S/C17H31NO3/c1-6-7-8-9-10-11-21-17(20)16(14(4)5)18-15(19)12-13(2)3/h12,14,16H,6-11H2,1-5H3,(H,18,19)
InChI Key
OXCDCQWYQJSHMV-UHFFFAOYSA-N
Formula
C17H31NO3
SMILES
CCCCCCCOC(=O)C(NC(=O)C=C(C)C)C(C)C
Molecular Weight1
297.43
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Physical Properties

Property Value Unit Source
ΔfusH° 42.70 kJ/mol Joback Calculated Property
ΔvapH° 86.27 kJ/mol Relay (1.0) Calculated Property
log10WS -4.50 Relay (1.0) Calculated Property
logPoct/wat 3.607 Crippen Calculated Property
McVol 265.080 ml/mol McGowan Calculated Property
Pc 1375.82 kPa Joback Calculated Property
Inp [2090.00; 2090.00]   Show Hide
Inp 2090.00 NIST
Inp 2090.00 NIST
Tboil 570.90 K Relay (1.0) Calculated Property
Tc 787.02 K Relay (1.0) Calculated Property
Tfus 330.03 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 [792.01; 879.46] J/mol×K [753.98; 941.26] Show Hide
Cp,gas 792.01 J/mol×K 753.98 Joback Calculated Property
Cp,gas 808.89 J/mol×K 785.19 Joback Calculated Property
Cp,gas 824.80 J/mol×K 816.41 Joback Calculated Property
Cp,gas 839.78 J/mol×K 847.62 Joback Calculated Property
Cp,gas 853.86 J/mol×K 878.83 Joback Calculated Property
Cp,gas 867.08 J/mol×K 910.05 Joback Calculated Property
Cp,gas 879.46 J/mol×K 941.26 Joback Calculated Property

Similar Compounds

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)-, hexyl 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-(3-cyclopentylpropionyl)-, butyl ester. L-Valine, N-(5-chlorovaleryl)-, pentyl ester. L-Valine, N-(5-chlorovaleryl)-, butyl ester. L-Valine, N-pentafluoropropionyl-, pentadecyl ester. L-Valine, N-pentafluoropropionyl-, octyl ester. l-Valine, n-pentafluoropropionyl-, dodecyl ester. l-Valine, n-pentafluoropropionyl-, heptadecyl ester.

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

Sources

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