Chemical Properties of DL-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, 2-ethylhexyl ester

DL-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, 2-ethylhexyl ester

InChI
InChI=1S/C23H45NO4/c1-8-12-14-19(10-3)16-27-22(25)21(18(5)6)24(7)23(26)28-17-20(11-4)15-13-9-2/h18-21H,8-17H2,1-7H3
InChI Key
HAPMECDFNLCJQM-UHFFFAOYSA-N
Formula
C23H45NO4
SMILES
CCCCC(CC)COC(=O)C(C(C)C)N(C)C(=O)OCC(CC)CCCC
Molecular Weight1
399.61
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Physical Properties

Property Value Unit Source
ΔfusH° 52.99 kJ/mol Joback Calculated Property
log10WS -5.44 Relay (1.0) Calculated Property
logPoct/wat 6.055 Crippen Calculated Property
McVol 359.790 ml/mol McGowan Calculated Property
Pc 872.22 kPa Joback Calculated Property
Inp [2329.00; 2329.00]   Show Hide
Inp 2329.00 NIST
Inp 2329.00 NIST
Tboil 623.47 K Relay (1.0) Calculated Property
Tfus 231.36 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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 [540.32; 1262.32] 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 A1.53800e+01
Coefficient B2.22684e+00
Coefficient C-1.16360e-03
Coefficient D1.83700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 540.32 J/mol×K 273.00 Calculated Property
Cp,gas 665.69 J/mol×K 353.78 Calculated Property
Cp,gas 778.41 J/mol×K 434.56 Calculated Property
Cp,gas 879.07 J/mol×K 515.33 Calculated Property
Cp,gas 968.25 J/mol×K 596.11 Calculated Property
Cp,gas 1046.54 J/mol×K 676.89 Calculated Property
Cp,gas 1114.51 J/mol×K 757.67 Calculated Property
Cp,gas 1172.74 J/mol×K 838.44 Calculated Property
Cp,gas 1221.82 J/mol×K 919.22 Calculated Property
Cp,gas 1262.32 J/mol×K 1000.00 Calculated Property

Similar Compounds

DL-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, undecyl ester. DL-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, octadecyl ester. DL-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, nonyl ester. DL-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, tetradecyl ester. DL-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, pentadecyl ester. DL-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, heptadecyl ester. DL-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, decyl ester. DL-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, hexadecyl ester. DL-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, octyl ester. DL-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, dodecyl ester. DL-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, tridecyl ester. DL-Valine, N-methyl-N-octyloxycarbonyl-, isobutyl ester. DL-Valine, N-methyl-N-octyloxycarbonyl-, dodecyl ester. DL-Valine, N-methyl-N-octyloxycarbonyl-, undecyl ester. DL-Valine, N-methyl-N-octyloxycarbonyl-, decyl ester.

Find more compounds similar to DL-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, 2-ethylhexyl ester.

Sources

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