Chemical Properties of .beta.-Alanine, N-(2,6-difluorobenzoyl)-, dodecyl ester

.beta.-Alanine, N-(2,6-difluorobenzoyl)-, dodecyl ester

InChI
InChI=1S/C22H33F2NO3/c1-2-3-4-5-6-7-8-9-10-11-17-28-20(26)15-16-25-22(27)21-18(23)13-12-14-19(21)24/h12-14H,2-11,15-17H2,1H3,(H,25,27)
InChI Key
ZDTVAHZRYITSPL-UHFFFAOYSA-N
Formula
C22H33F2NO3
SMILES
CCCCCCCCCCCCOC(=O)CCNC(=O)c1c(F)cccc1F
Molecular Weight1
397.51
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Physical Properties

Property Value Unit Source
ΔfusH° 63.23 kJ/mol Joback Calculated Property
ΔvapH° 118.05 kJ/mol Relay (1.0) Calculated Property
log10WS -6.58 Relay (1.0) Calculated Property
logPoct/wat 5.549 Crippen Calculated Property
McVol 319.610 ml/mol McGowan Calculated Property
Pc 1083.49 kPa Joback Calculated Property
Inp [2954.00; 2954.00]   Show Hide
Inp 2954.00 NIST
Inp 2954.00 NIST
Tboil 656.95 K Relay (1.0) Calculated Property
Tfus 341.37 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 [469.87; 1077.88] 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 A2.13230e+01
Coefficient B1.91292e+00
Coefficient C-1.03822e-03
Coefficient D1.81860e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 469.87 J/mol×K 273.00 Calculated Property
Cp,gas 576.18 J/mol×K 353.78 Calculated Property
Cp,gas 671.46 J/mol×K 434.56 Calculated Property
Cp,gas 756.28 J/mol×K 515.33 Calculated Property
Cp,gas 831.23 J/mol×K 596.11 Calculated Property
Cp,gas 896.87 J/mol×K 676.89 Calculated Property
Cp,gas 953.78 J/mol×K 757.67 Calculated Property
Cp,gas 1002.53 J/mol×K 838.44 Calculated Property
Cp,gas 1043.71 J/mol×K 919.22 Calculated Property
Cp,gas 1077.88 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Sources

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