Chemical Properties of D-Alanine, N-(3,4-difluorobenzoyl)-, tridecyl ester

D-Alanine, N-(3,4-difluorobenzoyl)-, tridecyl ester

InChI
InChI=1S/C23H35F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-16-29-23(28)18(2)26-22(27)19-14-15-20(24)21(25)17-19/h14-15,17-18H,3-13,16H2,1-2H3,(H,26,27)
InChI Key
FWZNGIUBXXESCX-UHFFFAOYSA-N
Formula
C23H35F2NO3
SMILES
CCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(F)c(F)c1
Molecular Weight1
411.53
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° 62.29 kJ/mol Joback Calculated Property
log10WS -6.84 Relay (1.0) Calculated Property
logPoct/wat 5.937 Crippen Calculated Property
McVol 333.700 ml/mol McGowan Calculated Property
Pc 1023.34 kPa Joback Calculated Property
Inp 2865.00 NIST
Tboil 648.51 K Relay (1.0) Calculated Property
Tfus 338.04 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 [1095.83; 1173.93] J/mol×K [922.84; 1129.86] Show Hide
Cp,gas 1095.83 J/mol×K 922.84 Joback Calculated Property
Cp,gas 1111.91 J/mol×K 957.34 Joback Calculated Property
Cp,gas 1126.70 J/mol×K 991.85 Joback Calculated Property
Cp,gas 1140.25 J/mol×K 1026.35 Joback Calculated Property
Cp,gas 1152.61 J/mol×K 1060.85 Joback Calculated Property
Cp,gas 1163.82 J/mol×K 1095.36 Joback Calculated Property
Cp,gas 1173.93 J/mol×K 1129.86 Joback Calculated Property

Similar Compounds

D-Alanine, N-(3,4-difluorobenzoyl)-, octadecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, pentadecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, hexadecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, eicosyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, nonyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, octyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, dodecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, hexyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, undecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, tetradecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, decyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, pentyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, butyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, heptadecyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, nonadecyl ester.

Find more compounds similar to D-Alanine, N-(3,4-difluorobenzoyl)-, tridecyl 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.