Chemical Properties of D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octadecyl ester

D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octadecyl ester

InChI
InChI=1S/C29H45F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-37-28(36)23(2)34-27(35)24-20-19-21-25(26(24)30)29(31,32)33/h19-21,23H,3-18,22H2,1-2H3,(H,34,35)
InChI Key
WBFUZMLEGKGRQK-UHFFFAOYSA-N
Formula
C29H45F4NO3
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1cccc(C(F)(F)F)c1F
Molecular Weight1
531.67
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Physical Properties

Property Value Unit Source
ΔfusH° 76.58 kJ/mol Joback Calculated Property
log10WS -8.58 Relay (1.0) Calculated Property
logPoct/wat 8.768 Crippen Calculated Property
McVol 421.780 ml/mol McGowan Calculated Property
Pc 702.47 kPa Joback Calculated Property
Inp [3264.00; 3264.00]   Show Hide
Inp 3264.00 NIST
Inp 3264.00 NIST
Tfus 358.64 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 [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-(2-fluoro-3-trifluoromethylbenzoyl)-, hexadecyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, pentadecyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, nonyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, undecyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, dodecyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, decyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, eicosyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, tetradecyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, tridecyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, heptadecyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, nonadecyl ester. D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, tridecyl ester. D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, octadecyl ester. D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, heptyl ester.

Find more compounds similar to D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octadecyl ester.

Sources

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