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

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

InChI
InChI=1S/C22H41NO4/c1-6-8-10-11-12-13-14-15-16-18-26-21(24)20(19(3)4)23(5)22(25)27-17-9-7-2/h7,19-20H,2,6,8-18H2,1,3-5H3
InChI Key
DVWQOCNCZSSWGP-UHFFFAOYSA-N
Formula
C22H41NO4
SMILES
C=CCCOC(=O)N(C)C(C(=O)OCCCCCCCCCCC)C(C)C
Molecular Weight1
383.57
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Physical Properties

Property Value Unit Source
ΔfusH° 56.17 kJ/mol Joback Calculated Property
log10WS -5.14 Relay (1.0) Calculated Property
logPoct/wat 5.730 Crippen Calculated Property
McVol 341.400 ml/mol McGowan Calculated Property
Inp [2459.00; 2459.00]   Show Hide
Inp 2459.00 NIST
Inp 2459.00 NIST
Tboil 639.20 K Relay (1.0) Calculated Property
Tfus 271.84 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 [509.93; 1181.14] 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 A1.66620e+01
Coefficient B2.09998e+00
Coefficient C-1.12570e-03
Coefficient D1.90200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 509.93 J/mol×K 273.00 Calculated Property
Cp,gas 627.12 J/mol×K 353.78 Calculated Property
Cp,gas 732.25 J/mol×K 434.56 Calculated Property
Cp,gas 825.93 J/mol×K 515.33 Calculated Property
Cp,gas 908.76 J/mol×K 596.11 Calculated Property
Cp,gas 981.33 J/mol×K 676.89 Calculated Property
Cp,gas 1044.26 J/mol×K 757.67 Calculated Property
Cp,gas 1098.13 J/mol×K 838.44 Calculated Property
Cp,gas 1143.56 J/mol×K 919.22 Calculated Property
Cp,gas 1181.14 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Sources

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