Chemical Properties of «beta»- Alanine, N-(2,6-difluorobenzoyl)-, tetradecyl ester

«beta»- Alanine, N-(2,6-difluorobenzoyl)-, tetradecyl ester

InChI
InChI=1S/C24H37F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-30-22(28)17-18-27-24(29)23-20(25)15-14-16-21(23)26/h14-16H,2-13,17-19H2,1H3,(H,27,29)
InChI Key
OOQPBINVCQVNML-UHFFFAOYSA-N
Formula
C24H37F2NO3
SMILES
CCCCCCCCCCCCCCOC(=O)CCNC(=O)c1c(F)cccc1F
Molecular Weight1
425.55
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Physical Properties

Property Value Unit Source
ΔfusH° 68.41 kJ/mol Joback Calculated Property
ΔvapH° 126.02 kJ/mol Relay (1.0) Calculated Property
log10WS -7.12 Relay (1.0) Calculated Property
logPoct/wat 6.329 Crippen Calculated Property
McVol 347.790 ml/mol McGowan Calculated Property
Pc 958.51 kPa Joback Calculated Property
Inp [3317.00; 3317.00]   Show Hide
Inp 3317.00 NIST
Inp 3317.00 NIST
Tboil 670.56 K Relay (1.0) Calculated Property
Tfus 345.21 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation 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 [512.30; 1181.07] 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 A1.95050e+01
Coefficient B2.10292e+00
Coefficient C-1.14702e-03
Coefficient D2.05660e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 512.30 J/mol×K 273.00 Calculated Property
Cp,gas 629.02 J/mol×K 353.78 Calculated Property
Cp,gas 733.62 J/mol×K 434.56 Calculated Property
Cp,gas 826.74 J/mol×K 515.33 Calculated Property
Cp,gas 909.05 J/mol×K 596.11 Calculated Property
Cp,gas 981.19 J/mol×K 676.89 Calculated Property
Cp,gas 1043.81 J/mol×K 757.67 Calculated Property
Cp,gas 1097.56 J/mol×K 838.44 Calculated Property
Cp,gas 1143.10 J/mol×K 919.22 Calculated Property
Cp,gas 1181.07 J/mol×K 1000.00 Calculated Property

Similar Compounds

«beta»-Alanine, N-(2,6-difluorobenzoyl)-, undecyl ester. .beta.-Alanine, N-(2,6-difluorobenzoyl)-, dodecyl ester. .beta.-Alanine, N-(2,6-difluorobenzoyl)-, heptyl ester. .beta.-Alanine, N-(2,6-difluorobenzoyl)-, octyl ester. «beta»-Alanine, N-(2,6-difluorobenzoyl)-, nonyl ester. .beta.-Alanine, N-(2,6-difluorobenzoyl)-, decyl ester. .beta.-Alanine, N-(2,6-difluorobenzoyl)-, pentadecyl ester. «beta»-Alanine, N-(2,6-difluorobenzoyl)-, hexyl ester. .beta.-Alanine, N-(2,6-difluorobenzoyl)-, pentyl ester. «beta»-Alanine, N-(2,6-difluorobenzoyl)-, isohexyl ester. .beta.-Alanine, N-(2,6-difluorobenzoyl)-, butyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, dodecyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, tetradecyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, octyl ester. .beta.-Alanine, N-(2,3,4-trifluorobenzoyl)-, decyl ester.

Find more compounds similar to «beta»- Alanine, N-(2,6-difluorobenzoyl)-, tetradecyl ester.

Sources

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