Chemical Properties of D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, eicosyl ester

D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, eicosyl ester

InChI
InChI=1S/C31H49F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-39-30(38)25(2)36-29(37)26-22-27(31(33,34)35)24-28(32)23-26/h22-25H,3-21H2,1-2H3,(H,36,37)
InChI Key
WDTWIVAJXIIUMF-UHFFFAOYSA-N
Formula
C31H49F4NO3
SMILES
CCCCCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1cc(F)cc(C(F)(F)F)c1
Molecular Weight1
559.73
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° 81.76 kJ/mol Joback Calculated Property
logPoct/wat 9.548 Crippen Calculated Property
McVol 449.960 ml/mol McGowan Calculated Property
Inp [3334.00; 3334.00]   Show Hide
Inp 3334.00 NIST
Inp 3334.00 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [675.42; 1558.35] 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 A-8.31000e-01
Coefficient B2.92324e+00
Coefficient C-1.73562e-03
Coefficient D3.71560e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 675.42 J/mol×K 273.00 Calculated Property
Cp,gas 832.57 J/mol×K 353.78 Calculated Property
Cp,gas 972.22 J/mol×K 434.56 Calculated Property
Cp,gas 1095.54 J/mol×K 515.33 Calculated Property
Cp,gas 1203.70 J/mol×K 596.11 Calculated Property
Cp,gas 1297.89 J/mol×K 676.89 Calculated Property
Cp,gas 1379.27 J/mol×K 757.67 Calculated Property
Cp,gas 1449.03 J/mol×K 838.44 Calculated Property
Cp,gas 1508.33 J/mol×K 919.22 Calculated Property
Cp,gas 1558.35 J/mol×K 1000.00 Calculated Property

Similar Compounds

D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, heptadecyl ester. D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, octadecyl ester. D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, undecyl ester. D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, nonadecyl ester. D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, tetradecyl ester. D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, pentadecyl ester. D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, decyl ester. D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, nonyl ester. D-alanine, n-(3-fluoro-5-trifluoromethylbenzoyl)-, tridecyl ester. D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, dodecyl ester. D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, hexadecyl ester. D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, octyl ester. D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, hexyl ester. D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, decyl ester. D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, tridecyl ester.

Find more compounds similar to D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, eicosyl 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.