Chemical Properties of DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, tetradecyl ester

DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, tetradecyl ester

InChI
InChI=1S/C27H53NO4/c1-6-9-11-12-13-14-15-16-17-18-19-20-22-31-26(29)24(4)28(5)27(30)32-23-25(8-3)21-10-7-2/h24-25H,6-23H2,1-5H3
InChI Key
LMBZGTWDZUFXTE-UHFFFAOYSA-N
Formula
C27H53NO4
SMILES
CCCCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCC(CC)CCCC
Molecular Weight1
455.71
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Physical Properties

Property Value Unit Source
ΔfH°gas -1188.25 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 70.40 kJ/mol Joback Calculated Property
ΔvapH° 128.51 kJ/mol Relay (1.0) Calculated Property
log10WS -6.91 Relay (1.0) Calculated Property
logPoct/wat 7.904 Crippen Calculated Property
McVol 416.150 ml/mol McGowan Calculated Property
Pc 697.65 kPa Joback Calculated Property
Inp [2870.00; 2870.00]   Show Hide
Inp 2870.00 NIST
Inp 2870.00 NIST
Tboil 656.37 K Relay (1.0) Calculated Property
Tfus 269.82 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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 [625.81; 1467.61] 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 A1.51080e+01
Coefficient B2.59500e+00
Coefficient C-1.37480e-03
Coefficient D2.32300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 625.81 J/mol×K 273.00 Calculated Property
Cp,gas 771.38 J/mol×K 353.78 Calculated Property
Cp,gas 902.23 J/mol×K 434.56 Calculated Property
Cp,gas 1019.09 J/mol×K 515.33 Calculated Property
Cp,gas 1122.69 J/mol×K 596.11 Calculated Property
Cp,gas 1213.78 J/mol×K 676.89 Calculated Property
Cp,gas 1293.07 J/mol×K 757.67 Calculated Property
Cp,gas 1361.32 J/mol×K 838.44 Calculated Property
Cp,gas 1419.26 J/mol×K 919.22 Calculated Property
Cp,gas 1467.61 J/mol×K 1000.00 Calculated Property

Similar Compounds

DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, tridecyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, decyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, octyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, pentadecyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, undecyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, nonyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, heptadecyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, hexadecyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, dodecyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, octadecyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, 2-ethylhexyl ester. DL-Alanine, N-methyl-N-decyloxycarbonyl-, isobutyl ester. DL-Alanine, N-methyl-N-hexyloxycarbonyl-, isobutyl ester. DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, heptyl ester. DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, octyl ester.

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

Sources

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