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

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

InChI
InChI=1S/C24H37F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-30-24(29)19(2)27-23(28)20-15-16-21(25)22(26)18-20/h15-16,18-19H,3-14,17H2,1-2H3,(H,27,28)
InChI Key
KJERWXHNMGBNCV-UHFFFAOYSA-N
Formula
C24H37F2NO3
SMILES
CCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(F)c(F)c1
Molecular Weight1
425.55
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Physical Properties

Property Value Unit Source
ΔfusH° 64.88 kJ/mol Joback Calculated Property
log10WS -7.12 Relay (1.0) Calculated Property
logPoct/wat 6.327 Crippen Calculated Property
McVol 347.790 ml/mol McGowan Calculated Property
Pc 963.27 kPa Joback Calculated Property
Inp [2949.00; 2949.00]   Show Hide
Inp 2949.00 NIST
Inp 2949.00 NIST
Tboil 655.51 K Relay (1.0) Calculated Property
Tfus 340.00 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 [511.99; 1181.60] 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 A1.78230e+01
Coefficient B2.10884e+00
Coefficient C-1.15022e-03
Coefficient D2.05160e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 511.99 J/mol×K 273.00 Calculated Property
Cp,gas 629.01 J/mol×K 353.78 Calculated Property
Cp,gas 733.86 J/mol×K 434.56 Calculated Property
Cp,gas 827.19 J/mol×K 515.33 Calculated Property
Cp,gas 909.66 J/mol×K 596.11 Calculated Property
Cp,gas 981.89 J/mol×K 676.89 Calculated Property
Cp,gas 1044.56 J/mol×K 757.67 Calculated Property
Cp,gas 1098.30 J/mol×K 838.44 Calculated Property
Cp,gas 1143.77 J/mol×K 919.22 Calculated Property
Cp,gas 1181.60 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Sources

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