Chemical Properties of D-Alanine, N-(4-ethylbenzoyl)-, tetradecyl ester

D-Alanine, N-(4-ethylbenzoyl)-, tetradecyl ester

InChI
InChI=1S/C26H43NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-21-30-26(29)22(3)27-25(28)24-19-17-23(5-2)18-20-24/h17-20,22H,4-16,21H2,1-3H3,(H,27,28)
InChI Key
DJTKCUAQAAQHIN-UHFFFAOYSA-N
Formula
C26H43NO3
SMILES
CCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(CC)cc1
Molecular Weight1
417.63
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
ΔfusH° 64.29 kJ/mol Joback Calculated Property
log10WS -6.94 Relay (1.0) Calculated Property
logPoct/wat 6.612 Crippen Calculated Property
McVol 372.430 ml/mol McGowan Calculated Property
Pc 913.29 kPa Joback Calculated Property
Inp [3233.00; 3233.00]   Show Hide
Inp 3233.00 NIST
Inp 3233.00 NIST
Tboil 672.27 K Relay (1.0) Calculated Property
Tfus 330.37 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1267.87; 1351.01] J/mol×K [987.96; 1210.01] Show Hide
Cp,gas 1267.87 J/mol×K 987.96 Joback Calculated Property
Cp,gas 1285.23 J/mol×K 1024.97 Joback Calculated Property
Cp,gas 1301.08 J/mol×K 1061.98 Joback Calculated Property
Cp,gas 1315.52 J/mol×K 1098.98 Joback Calculated Property
Cp,gas 1328.60 J/mol×K 1135.99 Joback Calculated Property
Cp,gas 1340.41 J/mol×K 1173.00 Joback Calculated Property
Cp,gas 1351.01 J/mol×K 1210.01 Joback Calculated Property

Similar Compounds

D-Alanine, N-(4-ethylbenzoyl)-, dodecyl ester. D-Alanine, N-(4-ethylbenzoyl)-, decyl ester. D-Alanine, N-(4-ethylbenzoyl)-, pentadecyl ester. D-Alanine, N-(4-ethylbenzoyl)-, nonyl ester. D-Alanine, N-(4-ethylbenzoyl)-, tridecyl ester. D-Alanine, N-(4-ethylbenzoyl)-, hexadecyl ester. D-Alanine, N-(4-ethylbenzoyl)-, undecyl ester. D-Alanine, N-(4-ethylbenzoyl)-, heptadecyl ester. D-Alanine, N-(4-ethylbenzoyl)-, heptyl ester. D-Alanine, N-(4-ethylbenzoyl)-, hexyl ester. D-Alanine, N-(4-ethylbenzoyl)-, pentyl ester. D-Alanine, N-(4-ethylbenzoyl)-, isohexyl ester. D-Alanine, N-(4-butylbenzoyl)-, pentadecyl ester. D-Alanine, N-(4-butylbenzoyl)-, tridecyl ester. D-Alanine, N-(4-butylbenzoyl)-, hexyl ester.

Find more compounds similar to D-Alanine, N-(4-ethylbenzoyl)-, tetradecyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.