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

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

InChI
InChI=1S/C20H29F2NO3/c1-3-4-5-6-7-8-9-10-13-26-20(25)15(2)23-19(24)16-11-12-17(21)18(22)14-16/h11-12,14-15H,3-10,13H2,1-2H3,(H,23,24)
InChI Key
MPFBRGDGWNYEIQ-UHFFFAOYSA-N
Formula
C20H29F2NO3
SMILES
CCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(F)c(F)c1
Molecular Weight1
369.45
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Physical Properties

Property Value Unit Source
ΔfusH° 54.52 kJ/mol Joback Calculated Property
log10WS -6.00 Relay (1.0) Calculated Property
logPoct/wat 4.767 Crippen Calculated Property
McVol 291.430 ml/mol McGowan Calculated Property
Pc 1241.58 kPa Joback Calculated Property
Inp [2532.00; 2532.00]   Show Hide
Inp 2532.00 NIST
Inp 2532.00 NIST
Tboil 627.02 K Relay (1.0) Calculated Property
Tfus 331.57 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 [427.13; 975.24] 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 A2.14590e+01
Coefficient B1.72884e+00
Coefficient C-9.32620e-04
Coefficient D1.57560e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 427.13 J/mol×K 273.00 Calculated Property
Cp,gas 523.34 J/mol×K 353.78 Calculated Property
Cp,gas 609.55 J/mol×K 434.56 Calculated Property
Cp,gas 686.28 J/mol×K 515.33 Calculated Property
Cp,gas 754.01 J/mol×K 596.11 Calculated Property
Cp,gas 813.25 J/mol×K 676.89 Calculated Property
Cp,gas 864.49 J/mol×K 757.67 Calculated Property
Cp,gas 908.24 J/mol×K 838.44 Calculated Property
Cp,gas 944.99 J/mol×K 919.22 Calculated Property
Cp,gas 975.24 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)-, tetradecyl 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)-, decyl ester.

Sources

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