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

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

InChI
InChI=1S/C28H43F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-36-27(35)22(2)33-26(34)23-19-18-20-24(25(23)29)28(30,31)32/h18-20,22H,3-17,21H2,1-2H3,(H,33,34)
InChI Key
FATOEHOLHVNEBA-UHFFFAOYSA-N
Formula
C28H43F4NO3
SMILES
CCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1cccc(C(F)(F)F)c1F
Molecular Weight1
517.64
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Physical Properties

Property Value Unit Source
ΔfusH° 73.99 kJ/mol Joback Calculated Property
log10WS -8.30 Relay (1.0) Calculated Property
logPoct/wat 8.377 Crippen Calculated Property
McVol 407.690 ml/mol McGowan Calculated Property
Pc 739.63 kPa Joback Calculated Property
Inp 3160.00 NIST
Tfus 356.84 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 [1419.30; 1506.78] J/mol×K [1032.55; 1279.39] Show Hide
Cp,gas 1419.30 J/mol×K 1032.55 Joback Calculated Property
Cp,gas 1437.56 J/mol×K 1073.69 Joback Calculated Property
Cp,gas 1454.16 J/mol×K 1114.83 Joback Calculated Property
Cp,gas 1469.25 J/mol×K 1155.97 Joback Calculated Property
Cp,gas 1482.95 J/mol×K 1197.11 Joback Calculated Property
Cp,gas 1495.41 J/mol×K 1238.25 Joback Calculated Property
Cp,gas 1506.78 J/mol×K 1279.39 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)-, 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)-, 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)-, heptadecyl ester.

Sources

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