Chemical Properties of DL-Valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, dodecyl ester

DL-Valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, dodecyl ester

InChI
InChI=1S/C23H43NO4/c1-6-8-10-11-12-13-14-15-16-17-19-27-22(25)21(20(3)4)24(5)23(26)28-18-9-7-2/h7,20-21H,2,6,8-19H2,1,3-5H3
InChI Key
UPJWVXVPECTFJC-UHFFFAOYSA-N
Formula
C23H43NO4
SMILES
C=CCCOC(=O)N(C)C(C(=O)OCCCCCCCCCCCC)C(C)C
Molecular Weight1
397.59
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Physical Properties

Property Value Unit Source
ΔfusH° 58.76 kJ/mol Joback Calculated Property
log10WS -5.44 Relay (1.0) Calculated Property
logPoct/wat 6.120 Crippen Calculated Property
McVol 355.490 ml/mol McGowan Calculated Property
Inp [2560.00; 2560.00]   Show Hide
Inp 2560.00 NIST
Inp 2560.00 NIST
Tboil 646.46 K Relay (1.0) Calculated Property
Tfus 275.89 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [531.14; 1232.73] 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 A1.57530e+01
Coefficient B2.19498e+00
Coefficient C-1.18010e-03
Coefficient D2.02100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 531.14 J/mol×K 273.00 Calculated Property
Cp,gas 653.54 J/mol×K 353.78 Calculated Property
Cp,gas 763.33 J/mol×K 434.56 Calculated Property
Cp,gas 861.16 J/mol×K 515.33 Calculated Property
Cp,gas 947.67 J/mol×K 596.11 Calculated Property
Cp,gas 1023.49 J/mol×K 676.89 Calculated Property
Cp,gas 1089.27 J/mol×K 757.67 Calculated Property
Cp,gas 1145.65 J/mol×K 838.44 Calculated Property
Cp,gas 1193.25 J/mol×K 919.22 Calculated Property
Cp,gas 1232.73 J/mol×K 1000.00 Calculated Property

Similar Compounds

DL-Valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, undecyl ester. DL-Valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, heptadecyl ester. DL-Valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, nonyl ester. DL-Valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, tetradecyl ester. DL-Valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, tridecyl ester. DL-Valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, pentadecyl ester. DL-Valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, octadecyl ester. DL-Valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, decyl ester. DL-Valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, hexadecyl ester. DL-Valine, N-methyl-N-octyloxycarbonyl-, pentyl ester. DL-Valine, N-methyl-N-hexyloxycarbonyl-, dodecyl ester. DL-Valine, N-methyl-N-decyloxycarbonyl-, hexadecyl ester. DL-Valine, N-methyl-N-hexyloxycarbonyl-, undecyl ester. DL-Valine, N-methyl-N-hexyloxycarbonyl-, butyl ester. DL-Valine, N-methyl-N-octyloxycarbonyl-, heptyl ester.

Find more compounds similar to DL-Valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, dodecyl ester.

Sources

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