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

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

InChI
InChI=1S/C28H55NO4/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-23-32-27(30)25(4)29(5)28(31)33-24-26(8-3)22-10-7-2/h25-26H,6-24H2,1-5H3
InChI Key
MXJKZMWHCARXSF-UHFFFAOYSA-N
Formula
C28H55NO4
SMILES
CCCCCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCC(CC)CCCC
Molecular Weight1
469.74
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Physical Properties

Property Value Unit Source
ΔfH°gas -1207.95 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 72.99 kJ/mol Joback Calculated Property
ΔvapH° 132.39 kJ/mol Relay (1.0) Calculated Property
log10WS -7.23 Relay (1.0) Calculated Property
logPoct/wat 8.294 Crippen Calculated Property
McVol 430.240 ml/mol McGowan Calculated Property
Pc 663.57 kPa Joback Calculated Property
Inp [2972.00; 2972.00]   Show Hide
Inp 2972.00 NIST
Inp 2972.00 NIST
Tboil 662.93 K Relay (1.0) Calculated Property
Tfus 273.28 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 [647.02; 1519.20] 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 A1.41990e+01
Coefficient B2.69000e+00
Coefficient C-1.42920e-03
Coefficient D2.44200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 647.02 J/mol×K 273.00 Calculated Property
Cp,gas 797.80 J/mol×K 353.78 Calculated Property
Cp,gas 933.30 J/mol×K 434.56 Calculated Property
Cp,gas 1054.32 J/mol×K 515.33 Calculated Property
Cp,gas 1161.60 J/mol×K 596.11 Calculated Property
Cp,gas 1255.94 J/mol×K 676.89 Calculated Property
Cp,gas 1338.09 J/mol×K 757.67 Calculated Property
Cp,gas 1408.84 J/mol×K 838.44 Calculated Property
Cp,gas 1468.95 J/mol×K 919.22 Calculated Property
Cp,gas 1519.20 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)-, 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)-, tetradecyl 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)-, pentadecyl ester.

Sources

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