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

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

InChI
InChI=1S/C21H39NO3/c1-6-7-8-9-10-11-12-13-14-15-25-21(24)20(18(4)5)22-19(23)16-17(2)3/h16,18,20H,6-15H2,1-5H3,(H,22,23)
InChI Key
ZQOMAZTXTZWBCG-UHFFFAOYSA-N
Formula
C21H39NO3
SMILES
CCCCCCCCCCCOC(=O)C(NC(=O)C=C(C)C)C(C)C
Molecular Weight1
353.55
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Physical Properties

Property Value Unit Source
ΔfusH° 53.06 kJ/mol Joback Calculated Property
ΔvapH° 102.02 kJ/mol Relay (1.0) Calculated Property
log10WS -5.83 Relay (1.0) Calculated Property
logPoct/wat 5.167 Crippen Calculated Property
McVol 321.440 ml/mol McGowan Calculated Property
Pc 1054.14 kPa Joback Calculated Property
Inp [2480.00; 2480.00]   Show Hide
Inp 2480.00 NIST
Inp 2480.00 NIST
Tboil 600.63 K Relay (1.0) Calculated Property
Tc 824.41 K Relay (1.0) Calculated Property
Tfus 340.46 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 [1029.66; 1122.61] J/mol×K [845.50; 1038.31] Show Hide
Cp,gas 1029.66 J/mol×K 845.50 Joback Calculated Property
Cp,gas 1047.78 J/mol×K 877.63 Joback Calculated Property
Cp,gas 1064.78 J/mol×K 909.77 Joback Calculated Property
Cp,gas 1080.72 J/mol×K 941.90 Joback Calculated Property
Cp,gas 1095.64 J/mol×K 974.04 Joback Calculated Property
Cp,gas 1109.59 J/mol×K 1006.17 Joback Calculated Property
Cp,gas 1122.61 J/mol×K 1038.31 Joback Calculated Property

Similar Compounds

L-Valine, N-(3-methylbut-2-enoyl)-, dodecyl ester. L-Valine, N-(3-methylbut-2-enoyl)-, heptyl 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)-, dodecyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, pentadecyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, butyl ester. L-Valine, N-(5-chlorovaleryl)-, pentyl ester. L-Valine, N-pentafluoropropionyl-, decyl ester. l-Valine, n-pentafluoropropionyl-, octadecyl ester. L-Valine, N-pentafluoropropionyl-, octyl ester. l-Valine, n-pentafluoropropionyl-, dodecyl ester. l-Valine, n-pentafluoropropionyl-, undecyl ester.

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

Sources

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