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

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

InChI
InChI=1S/C27H41F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-35-26(34)21(2)32-25(33)22-18-17-19-23(24(22)28)27(29,30)31/h17-19,21H,3-16,20H2,1-2H3,(H,32,33)
InChI Key
HQMUMQLPQKZIDE-UHFFFAOYSA-N
Formula
C27H41F4NO3
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1cccc(C(F)(F)F)c1F
Molecular Weight1
503.61
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Physical Properties

Property Value Unit Source
ΔfusH° 71.40 kJ/mol Joback Calculated Property
log10WS -8.03 Relay (1.0) Calculated Property
logPoct/wat 7.987 Crippen Calculated Property
McVol 393.600 ml/mol McGowan Calculated Property
Pc 779.81 kPa Joback Calculated Property
Inp [3061.00; 3061.00]   Show Hide
Inp 3061.00 NIST
Inp 3061.00 NIST
Tfus 355.01 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 [1356.57; 1441.57] J/mol×K [1009.67; 1245.83] Show Hide
Cp,gas 1356.57 J/mol×K 1009.67 Joback Calculated Property
Cp,gas 1374.20 J/mol×K 1049.03 Joback Calculated Property
Cp,gas 1390.29 J/mol×K 1088.39 Joback Calculated Property
Cp,gas 1404.95 J/mol×K 1127.75 Joback Calculated Property
Cp,gas 1418.30 J/mol×K 1167.11 Joback Calculated Property
Cp,gas 1430.47 J/mol×K 1206.47 Joback Calculated Property
Cp,gas 1441.57 J/mol×K 1245.83 Joback Calculated Property

Similar Compounds

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)-, octadecyl 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)-, hexadecyl ester.

Sources

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