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

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

InChI
InChI=1S/C21H41NO4/c1-7-11-13-18(9-3)15-25-20(23)17(5)22(6)21(24)26-16-19(10-4)14-12-8-2/h17-19H,7-16H2,1-6H3
InChI Key
UMRRJBKAQLMSSH-UHFFFAOYSA-N
Formula
C21H41NO4
SMILES
CCCCC(CC)COC(=O)C(C)N(C)C(=O)OCC(CC)CCCC
Molecular Weight1
371.55
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Physical Properties

Property Value Unit Source
ΔfusH° 51.34 kJ/mol Joback Calculated Property
log10WS -4.92 Relay (1.0) Calculated Property
logPoct/wat 5.419 Crippen Calculated Property
McVol 331.610 ml/mol McGowan Calculated Property
Pc 975.34 kPa Joback Calculated Property
Inp [2243.00; 2243.00]   Show Hide
Inp 2243.00 NIST
Inp 2243.00 NIST
Tboil 614.85 K Relay (1.0) Calculated Property
Tfus 226.19 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 [498.21; 1158.60] 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 A1.88800e+01
Coefficient B2.03092e+00
Coefficient C-1.05160e-03
Coefficient D1.60400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 498.21 J/mol×K 273.00 Calculated Property
Cp,gas 612.86 J/mol×K 353.78 Calculated Property
Cp,gas 716.01 J/mol×K 434.56 Calculated Property
Cp,gas 808.16 J/mol×K 515.33 Calculated Property
Cp,gas 889.83 J/mol×K 596.11 Calculated Property
Cp,gas 961.51 J/mol×K 676.89 Calculated Property
Cp,gas 1023.73 J/mol×K 757.67 Calculated Property
Cp,gas 1076.97 J/mol×K 838.44 Calculated Property
Cp,gas 1121.76 J/mol×K 919.22 Calculated Property
Cp,gas 1158.60 J/mol×K 1000.00 Calculated Property

Similar Compounds

DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, pentadecyl 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)-, tridecyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, octyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, decyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, dodecyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, hexadecyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, undecyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, octadecyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, tetradecyl ester. DL-Alanine, N-methyl-N-decyloxycarbonyl-, isobutyl ester. DL-Alanine, N-methyl-N-hexyloxycarbonyl-, isobutyl ester. DL-Alanine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, heptyl ester. DL-Alanine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, tetradecyl ester.

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

Sources

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