Chemical Properties of DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, decyl ester

DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, decyl ester

InChI
InChI=1S/C20H38ClNO4/c1-5-6-7-8-9-10-11-12-15-25-19(23)18(17(2)3)22(4)20(24)26-16-13-14-21/h17-18H,5-16H2,1-4H3
InChI Key
OCTHLMNAQSRLMQ-UHFFFAOYSA-N
Formula
C20H38ClNO4
SMILES
CCCCCCCCCCOC(=O)C(C(C)C)N(C)C(=O)OCCCCl
Molecular Weight1
391.97
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Physical Properties

Property Value Unit Source
ΔfH°gas -1056.52 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 56.47 kJ/mol Joback Calculated Property
ΔvapH° 108.14 kJ/mol Relay (1.0) Calculated Property
log10WS -5.06 Relay (1.0) Calculated Property
logPoct/wat 5.392 Crippen Calculated Property
McVol 329.760 ml/mol McGowan Calculated Property
Inp [2500.00; 2500.00]   Show Hide
Inp 2500.00 NIST
Inp 2500.00 NIST
Tboil 617.48 K Relay (1.0) Calculated Property
Tfus 282.49 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 [490.72; 1114.74] 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 A3.43620e+01
Coefficient B1.93678e+00
Coefficient C-1.01440e-03
Coefficient D1.58000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 490.72 J/mol×K 273.00 Calculated Property
Cp,gas 599.59 J/mol×K 353.78 Calculated Property
Cp,gas 697.41 J/mol×K 434.56 Calculated Property
Cp,gas 784.68 J/mol×K 515.33 Calculated Property
Cp,gas 861.90 J/mol×K 596.11 Calculated Property
Cp,gas 929.57 J/mol×K 676.89 Calculated Property
Cp,gas 988.19 J/mol×K 757.67 Calculated Property
Cp,gas 1038.26 J/mol×K 838.44 Calculated Property
Cp,gas 1080.28 J/mol×K 919.22 Calculated Property
Cp,gas 1114.74 J/mol×K 1000.00 Calculated Property

Similar Compounds

DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, pentadecyl ester. DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, tetradecyl ester. DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, dodecyl ester. DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, undecyl ester. DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, hexadecyl ester. DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, tridecyl ester. DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, nonyl ester. DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, heptyl ester. DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, octyl ester. DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, heptadecyl ester. DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, octadecyl ester. DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, pentyl ester. DL-Valine, N-methyl-N-decyloxycarbonyl-, undecyl ester. DL-Valine, N-methyl-N-octyloxycarbonyl-, dodecyl ester. DL-Valine, N-methyl-N-decyloxycarbonyl-, tetradecyl ester.

Find more compounds similar to DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, decyl ester.

Sources

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