Chemical Properties of DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, hexadecyl ester

DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, hexadecyl ester

InChI
InChI=1S/C29H57NO4/c1-5-8-10-11-12-13-14-15-16-17-18-19-20-21-23-33-28(31)24-26(4)30-29(32)34-25-27(7-3)22-9-6-2/h26-27H,5-25H2,1-4H3,(H,30,32)
InChI Key
NVSIAENGIDMRNK-UHFFFAOYSA-N
Formula
C29H57NO4
SMILES
CCCCCCCCCCCCCCCCOC(=O)CC(C)NC(=O)OCC(CC)CCCC
Molecular Weight1
483.77
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Physical Properties

Property Value Unit Source
ΔfH°gas -1278.98 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 77.66 kJ/mol Joback Calculated Property
ΔvapH° 140.40 kJ/mol Relay (1.0) Calculated Property
log10WS -7.77 Relay (1.0) Calculated Property
logPoct/wat 8.732 Crippen Calculated Property
McVol 444.330 ml/mol McGowan Calculated Property
Pc 636.72 kPa Joback Calculated Property
Inp [3286.00; 3286.00]   Show Hide
Inp 3286.00 NIST
Inp 3286.00 NIST
Tboil 665.50 K Relay (1.0) Calculated Property
Tfus 281.82 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1585.94; 1682.63] J/mol×K [1028.85; 1285.92] Show Hide
Cp,gas 1585.94 J/mol×K 1028.85 Joback Calculated Property
Cp,gas 1607.96 J/mol×K 1071.70 Joback Calculated Property
Cp,gas 1627.48 J/mol×K 1114.54 Joback Calculated Property
Cp,gas 1644.59 J/mol×K 1157.39 Joback Calculated Property
Cp,gas 1659.41 J/mol×K 1200.23 Joback Calculated Property
Cp,gas 1672.06 J/mol×K 1243.08 Joback Calculated Property
Cp,gas 1682.63 J/mol×K 1285.92 Joback Calculated Property

Similar Compounds

DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, butyl ester. DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, isobutyl ester. DL-3-Aminobutanoic acid, N-hexyloxycarbonyl-, nonyl ester. DL-3-Aminobutanoic acid, N-hexyloxycarbonyl-, hexyl ester. DL-3-Aminobutanoic acid, N-hexyloxycarbonyl-, pentyl ester. DL-3-Aminobutanoyl-DL-aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, 2-ethylhexyl ester. 2-Aminopent-4-enoic acid, N-(2-ethylhexyloxycarbonyl)-, decyl ester. 2-Aminopent-4-enoic acid, N-(2-ethylhexyloxycarbonyl)-, octyl ester. l-Norvaline, N-isobutoxycarbonyl-, isohexyl ester. L-Norvaline, N-((1R)-(-)-menthyloxycarbonyl)-, octyl ester. L-Norvaline, N-((1R)-(-)-menthyloxycarbonyl)-, undecyl ester. L-Norvaline, N-((1R)-(-)-menthyloxycarbonyl)-, decyl ester. L-Norvaline, N-((1R)-(-)-menthyloxycarbonyl)-, heptyl ester. L-Norvaline, N-((1R)-(-)-menthyloxycarbonyl)-, nonyl ester. l-Norvaline, n-butoxycarbonyl-, isohexyl ester.

Find more compounds similar to DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, hexadecyl ester.

Sources

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