Chemical Properties of D-Alanine, N-(3,4-difluorobenzoyl)-, octadecyl ester

D-Alanine, N-(3,4-difluorobenzoyl)-, octadecyl ester

InChI
InChI=1S/C28H45F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-34-28(33)23(2)31-27(32)24-19-20-25(29)26(30)22-24/h19-20,22-23H,3-18,21H2,1-2H3,(H,31,32)
InChI Key
NBSYQFBNYZWFHE-UHFFFAOYSA-N
Formula
C28H45F2NO3
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(F)c(F)c1
Molecular Weight1
481.67
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Physical Properties

Property Value Unit Source
ΔfusH° 75.24 kJ/mol Joback Calculated Property
log10WS -8.21 Relay (1.0) Calculated Property
logPoct/wat 7.888 Crippen Calculated Property
McVol 404.150 ml/mol McGowan Calculated Property
Pc 769.04 kPa Joback Calculated Property
Inp 3344.00 NIST
Tboil 682.91 K Relay (1.0) Calculated Property
Tfus 347.50 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 [1406.18; 1489.45] J/mol×K [1037.24; 1282.22] Show Hide
Cp,gas 1406.18 J/mol×K 1037.24 Joback Calculated Property
Cp,gas 1424.30 J/mol×K 1078.07 Joback Calculated Property
Cp,gas 1440.59 J/mol×K 1118.90 Joback Calculated Property
Cp,gas 1455.14 J/mol×K 1159.73 Joback Calculated Property
Cp,gas 1468.07 J/mol×K 1200.56 Joback Calculated Property
Cp,gas 1479.47 J/mol×K 1241.39 Joback Calculated Property
Cp,gas 1489.45 J/mol×K 1282.22 Joback Calculated Property

Similar Compounds

D-Alanine, N-(3,4-difluorobenzoyl)-, pentadecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, hexadecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, eicosyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, nonyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, tridecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, octyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, dodecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, hexyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, undecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, tetradecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, decyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, pentyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, butyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, heptadecyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, nonadecyl ester.

Find more compounds similar to D-Alanine, N-(3,4-difluorobenzoyl)-, octadecyl ester.

Sources

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