Chemical Properties of «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, pentadecyl ester

«beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, pentadecyl ester

InChI
InChI=1S/C25H38F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-32-22(30)17-18-29-25(31)20-15-16-21(26)24(28)23(20)27/h15-16H,2-14,17-19H2,1H3,(H,29,31)
InChI Key
DFRQZCCRJJDREW-UHFFFAOYSA-N
Formula
C25H38F3NO3
SMILES
CCCCCCCCCCCCCCCOC(=O)CCNC(=O)c1ccc(F)c(F)c1F
Molecular Weight1
457.57
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° 73.69 kJ/mol Joback Calculated Property
ΔvapH° 130.98 kJ/mol Relay (1.0) Calculated Property
log10WS -7.77 Relay (1.0) Calculated Property
logPoct/wat 6.858 Crippen Calculated Property
McVol 363.650 ml/mol McGowan Calculated Property
Pc 872.22 kPa Joback Calculated Property
Inp 3255.00 NIST
Tboil 680.60 K Relay (1.0) Calculated Property
Tfus 341.52 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation 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 [1224.44; 1303.80] J/mol×K [973.29; 1196.26] Show Hide
Cp,gas 1224.44 J/mol×K 973.29 Joback Calculated Property
Cp,gas 1241.26 J/mol×K 1010.45 Joback Calculated Property
Cp,gas 1256.56 J/mol×K 1047.61 Joback Calculated Property
Cp,gas 1270.40 J/mol×K 1084.77 Joback Calculated Property
Cp,gas 1282.85 J/mol×K 1121.93 Joback Calculated Property
Cp,gas 1293.96 J/mol×K 1159.09 Joback Calculated Property
Cp,gas 1303.80 J/mol×K 1196.26 Joback Calculated Property

Similar Compounds

«beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, dodecyl ester. .beta.-Alanine, N-(2,3,4-trifluorobenzoyl)-, decyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, hexadecyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, heptyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, nonyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, tetradecyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, undecyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, octyl ester. .beta.-Alanine, N-(2,3,4-trifluorobenzoyl)-, hexyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, isohexyl ester. .beta.-Alanine, N-(2,3,4-trifluorobenzoyl)-, butyl ester. .beta.-Alanine, N-(3-fluorobenzoyl)-, tetradecyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, undecyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, octyl ester. .beta.-Alanine, N-(3-fluorobenzoyl)-, heptyl ester.

Find more compounds similar to «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, pentadecyl 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.