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

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

InChI
InChI=1S/C21H39NO4/c1-6-8-10-11-12-13-14-15-17-25-20(23)19(18(3)4)22(5)21(24)26-16-9-7-2/h7,18-19H,2,6,8-17H2,1,3-5H3
InChI Key
PNIZDWDVLICXIU-UHFFFAOYSA-N
Formula
C21H39NO4
SMILES
C=CCCOC(=O)N(C)C(C(=O)OCCCCCCCCCC)C(C)C
Molecular Weight1
369.54
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Physical Properties

Property Value Unit Source
ΔfusH° 53.58 kJ/mol Joback Calculated Property
log10WS -4.83 Relay (1.0) Calculated Property
logPoct/wat 5.339 Crippen Calculated Property
McVol 327.310 ml/mol McGowan Calculated Property
Inp [2361.00; 2361.00]   Show Hide
Inp 2361.00 NIST
Inp 2361.00 NIST
Tboil 631.63 K Relay (1.0) Calculated Property
Tfus 267.63 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 [488.72; 1129.55] 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 A1.75710e+01
Coefficient B2.00498e+00
Coefficient C-1.07130e-03
Coefficient D1.78300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 488.72 J/mol×K 273.00 Calculated Property
Cp,gas 600.70 J/mol×K 353.78 Calculated Property
Cp,gas 701.17 J/mol×K 434.56 Calculated Property
Cp,gas 790.70 J/mol×K 515.33 Calculated Property
Cp,gas 869.85 J/mol×K 596.11 Calculated Property
Cp,gas 939.17 J/mol×K 676.89 Calculated Property
Cp,gas 999.24 J/mol×K 757.67 Calculated Property
Cp,gas 1050.62 J/mol×K 838.44 Calculated Property
Cp,gas 1093.87 J/mol×K 919.22 Calculated Property
Cp,gas 1129.55 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)-, 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)-, 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)-, decyl ester.

Sources

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