Chemical Properties of D-Alanine, N-(2,5-difluorobenzoyl)-, heptadecyl ester

D-Alanine, N-(2,5-difluorobenzoyl)-, heptadecyl ester

InChI
InChI=1S/C27H43F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-33-27(32)22(2)30-26(31)24-21-23(28)18-19-25(24)29/h18-19,21-22H,3-17,20H2,1-2H3,(H,30,31)
InChI Key
CQBSOHSBHRFDAY-UHFFFAOYSA-N
Formula
C27H43F2NO3
SMILES
CCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1cc(F)ccc1F
Molecular Weight1
467.64
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Physical Properties

Property Value Unit Source
ΔfusH° 72.65 kJ/mol Joback Calculated Property
log10WS -7.92 Relay (1.0) Calculated Property
logPoct/wat 7.498 Crippen Calculated Property
McVol 390.060 ml/mol McGowan Calculated Property
Pc 811.68 kPa Joback Calculated Property
Inp [3216.00; 3216.00]   Show Hide
Inp 3216.00 NIST
Inp 3216.00 NIST
Tboil 675.72 K Relay (1.0) Calculated Property
Tfus 357.95 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [1343.29; 1425.44] J/mol×K [1014.36; 1249.31] Show Hide
Cp,gas 1343.29 J/mol×K 1014.36 Joback Calculated Property
Cp,gas 1360.92 J/mol×K 1053.52 Joback Calculated Property
Cp,gas 1376.87 J/mol×K 1092.68 Joback Calculated Property
Cp,gas 1391.20 J/mol×K 1131.84 Joback Calculated Property
Cp,gas 1404.02 J/mol×K 1171.00 Joback Calculated Property
Cp,gas 1415.40 J/mol×K 1210.15 Joback Calculated Property
Cp,gas 1425.44 J/mol×K 1249.31 Joback Calculated Property

Similar Compounds

D-Alanine, N-(2,5-difluorobenzoyl)-, dodecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, tetradecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, octadecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, tridecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, decyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, eicosyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, pentadecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, nonadecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, undecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, hexadecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, pentyl ester. D-alanine, n-(2,4-difluorobenzoyl)-, eicosyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, heptadecyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, octadecyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, nonadecyl ester.

Find more compounds similar to D-Alanine, N-(2,5-difluorobenzoyl)-, heptadecyl ester.

Sources

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