Chemical Properties of D-Alanine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, octadecyl ester

D-Alanine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, octadecyl ester

InChI
InChI=1S/C29H45F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-37-28(36)23(2)34-27(35)25-20-19-24(30)22-26(25)29(31,32)33/h19-20,22-23H,3-18,21H2,1-2H3,(H,34,35)
InChI Key
KLJZUAPYLRHWNY-UHFFFAOYSA-N
Formula
C29H45F4NO3
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(F)cc1C(F)(F)F
Molecular Weight1
531.67
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° 76.58 kJ/mol Joback Calculated Property
logPoct/wat 8.768 Crippen Calculated Property
McVol 421.780 ml/mol McGowan Calculated Property
Inp [3245.00; 3245.00]   Show Hide
Inp 3245.00 NIST
Inp 3245.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [1482.42; 1572.69] J/mol×K [1055.43; 1314.40] Show Hide
Cp,gas 1482.42 J/mol×K 1055.43 Joback Calculated Property
Cp,gas 1501.38 J/mol×K 1098.59 Joback Calculated Property
Cp,gas 1518.55 J/mol×K 1141.75 Joback Calculated Property
Cp,gas 1534.10 J/mol×K 1184.91 Joback Calculated Property
Cp,gas 1548.19 J/mol×K 1228.07 Joback Calculated Property
Cp,gas 1561.00 J/mol×K 1271.24 Joback Calculated Property
Cp,gas 1572.69 J/mol×K 1314.40 Joback Calculated Property

Similar Compounds

D-Alanine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, pentadecyl ester. D-Alanine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, tetradecyl ester. D-Alanine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, heptadecyl ester. D-Alanine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, nonyl ester. D-Alanine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, nonadecyl ester. D-Alanine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, heptyl ester. D-Alanine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, dodecyl ester. D-Alanine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, decyl ester. D-Alanine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, tridecyl ester. D-Alanine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, undecyl ester. D-Alanine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, hexadecyl ester. D-Alanine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, octyl ester. D-Alanine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, eicosyl ester. D-Alanine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, pentyl ester. D-Alanine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, butyl ester.

Find more compounds similar to D-Alanine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, octadecyl 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.