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

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

InChI
InChI=1S/C26H41F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-32-26(31)21(2)29-25(30)22-17-18-23(27)24(28)20-22/h17-18,20-21H,3-16,19H2,1-2H3,(H,29,30)
InChI Key
UUELQDLOKUDNSA-UHFFFAOYSA-N
Formula
C26H41F2NO3
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(F)c(F)c1
Molecular Weight1
453.61
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Physical Properties

Property Value Unit Source
ΔfusH° 70.06 kJ/mol Joback Calculated Property
log10WS -7.66 Relay (1.0) Calculated Property
logPoct/wat 7.108 Crippen Calculated Property
McVol 375.970 ml/mol McGowan Calculated Property
Pc 857.97 kPa Joback Calculated Property
Inp [3141.00; 3141.00]   Show Hide
Inp 3141.00 NIST
Inp 3141.00 NIST
Tboil 669.37 K Relay (1.0) Calculated Property
Tfus 343.89 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 [554.41; 1284.79] 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 A1.60050e+01
Coefficient B2.29884e+00
Coefficient C-1.25902e-03
Coefficient D2.28960e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 554.41 J/mol×K 273.00 Calculated Property
Cp,gas 681.84 J/mol×K 353.78 Calculated Property
Cp,gas 796.02 J/mol×K 434.56 Calculated Property
Cp,gas 897.65 J/mol×K 515.33 Calculated Property
Cp,gas 987.48 J/mol×K 596.11 Calculated Property
Cp,gas 1066.22 J/mol×K 676.89 Calculated Property
Cp,gas 1134.59 J/mol×K 757.67 Calculated Property
Cp,gas 1193.33 J/mol×K 838.44 Calculated Property
Cp,gas 1243.15 J/mol×K 919.22 Calculated Property
Cp,gas 1284.79 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)-, 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)-, hexadecyl ester.

Sources

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