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

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

InChI
InChI=1S/C17H33NO4/c1-5-8-10-15(7-3)13-22-17(20)18-14(4)12-16(19)21-11-9-6-2/h14-15H,5-13H2,1-4H3,(H,18,20)
InChI Key
QTFIGKRLCNEQPI-UHFFFAOYSA-N
Formula
C17H33NO4
SMILES
CCCCOC(=O)CC(C)NC(=O)OCC(CC)CCCC
Molecular Weight1
315.45
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfH°gas -1042.40 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 46.58 kJ/mol Joback Calculated Property
ΔvapH° 96.19 kJ/mol Relay (1.0) Calculated Property
log10WS -3.92 Relay (1.0) Calculated Property
logPoct/wat 4.051 Crippen Calculated Property
McVol 275.250 ml/mol McGowan Calculated Property
Pc 1265.55 kPa Joback Calculated Property
Inp [2133.00; 2133.00]   Show Hide
Inp 2133.00 NIST
Inp 2133.00 NIST
Tboil 580.92 K Relay (1.0) Calculated Property
Tfus 233.91 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 [414.35; 950.56] 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 A3.36790e+01
Coefficient B1.59728e+00
Coefficient C-7.66800e-04
Coefficient D8.64000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 414.35 J/mol×K 273.00 Calculated Property
Cp,gas 506.62 J/mol×K 353.78 Calculated Property
Cp,gas 590.07 J/mol×K 434.56 Calculated Property
Cp,gas 665.00 J/mol×K 515.33 Calculated Property
Cp,gas 731.66 J/mol×K 596.11 Calculated Property
Cp,gas 790.32 J/mol×K 676.89 Calculated Property
Cp,gas 841.28 J/mol×K 757.67 Calculated Property
Cp,gas 884.78 J/mol×K 838.44 Calculated Property
Cp,gas 921.12 J/mol×K 919.22 Calculated Property
Cp,gas 950.56 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.