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

D-Alanine, N-(2,5-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)25-22-24(29)19-20-26(25)30/h19-20,22-23H,3-18,21H2,1-2H3,(H,31,32)
InChI Key
LQTQLOJTHFRGRZ-UHFFFAOYSA-N
Formula
C28H45F2NO3
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1cc(F)ccc1F
Molecular Weight1
481.66
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Physical Properties

Property Value Unit Source
ΔfusH° 75.24 kJ/mol Joback Calculated Property
log10WS -8.19 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 [3321.00; 3321.00]   Show Hide
Inp 3321.00 NIST
Inp 3321.00 NIST
Tboil 682.43 K Relay (1.0) Calculated Property
Tfus 359.40 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [596.84; 1387.97] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.41870e+01
Coefficient B2.48884e+00
Coefficient C-1.36782e-03
Coefficient D2.52760e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 596.84 J/mol×K 273.00 Calculated Property
Cp,gas 734.68 J/mol×K 353.78 Calculated Property
Cp,gas 858.17 J/mol×K 434.56 Calculated Property
Cp,gas 968.11 J/mol×K 515.33 Calculated Property
Cp,gas 1065.30 J/mol×K 596.11 Calculated Property
Cp,gas 1150.54 J/mol×K 676.89 Calculated Property
Cp,gas 1224.63 J/mol×K 757.67 Calculated Property
Cp,gas 1288.36 J/mol×K 838.44 Calculated Property
Cp,gas 1342.54 J/mol×K 919.22 Calculated Property
Cp,gas 1387.97 J/mol×K 1000.00 Calculated Property

Similar Compounds

D-Alanine, N-(2,5-difluorobenzoyl)-, dodecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, heptadecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, tetradecyl 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)-, octadecyl ester.

Sources

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