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

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

InChI
InChI=1S/C23H45NO4/c1-7-10-12-13-14-15-17-27-22(25)21(19(4)5)24(6)23(26)28-18-20(9-3)16-11-8-2/h19-21H,7-18H2,1-6H3
InChI Key
XESGSZHBNHJFEU-UHFFFAOYSA-N
Formula
C23H45NO4
SMILES
CCCCCCCCOC(=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° 56.52 kJ/mol Joback Calculated Property
log10WS -5.55 Relay (1.0) Calculated Property
logPoct/wat 6.200 Crippen Calculated Property
McVol 359.790 ml/mol McGowan Calculated Property
Pc 868.11 kPa Joback Calculated Property
Inp [2423.00; 2423.00]   Show Hide
Inp 2423.00 NIST
Inp 2423.00 NIST
Tboil 624.32 K Relay (1.0) Calculated Property
Tfus 246.54 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 [540.64; 1261.78] 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 A1.70620e+01
Coefficient B2.22092e+00
Coefficient C-1.16040e-03
Coefficient D1.84200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 540.64 J/mol×K 273.00 Calculated Property
Cp,gas 665.70 J/mol×K 353.78 Calculated Property
Cp,gas 778.16 J/mol×K 434.56 Calculated Property
Cp,gas 878.62 J/mol×K 515.33 Calculated Property
Cp,gas 967.65 J/mol×K 596.11 Calculated Property
Cp,gas 1045.83 J/mol×K 676.89 Calculated Property
Cp,gas 1113.76 J/mol×K 757.67 Calculated Property
Cp,gas 1172.00 J/mol×K 838.44 Calculated Property
Cp,gas 1221.15 J/mol×K 919.22 Calculated Property
Cp,gas 1261.78 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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