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

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

InChI
InChI=1S/C17H23F2NO3/c1-2-3-4-5-6-12-23-15(21)10-11-20-17(22)16-13(18)8-7-9-14(16)19/h7-9H,2-6,10-12H2,1H3,(H,20,22)
InChI Key
IUFCJLORSONGBC-UHFFFAOYSA-N
Formula
C17H23F2NO3
SMILES
CCCCCCCOC(=O)CCNC(=O)c1c(F)cccc1F
Molecular Weight1
327.37
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Physical Properties

Property Value Unit Source
ΔfusH° 50.28 kJ/mol Joback Calculated Property
ΔvapH° 98.14 kJ/mol Relay (1.0) Calculated Property
log10WS -5.07 Relay (1.0) Calculated Property
logPoct/wat 3.598 Crippen Calculated Property
McVol 249.160 ml/mol McGowan Calculated Property
Pc 1528.27 kPa Joback Calculated Property
Inp [2376.00; 2376.00]   Show Hide
Inp 2376.00 NIST
Inp 2376.00 NIST
Tboil 621.47 K Relay (1.0) Calculated Property
Tfus 330.86 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 [363.80; 819.93] 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 A2.58680e+01
Coefficient B1.43792e+00
Coefficient C-7.66220e-04
Coefficient D1.22360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 363.80 J/mol×K 273.00 Calculated Property
Cp,gas 444.09 J/mol×K 353.78 Calculated Property
Cp,gas 516.07 J/mol×K 434.56 Calculated Property
Cp,gas 580.14 J/mol×K 515.33 Calculated Property
Cp,gas 636.67 J/mol×K 596.11 Calculated Property
Cp,gas 686.06 J/mol×K 676.89 Calculated Property
Cp,gas 728.70 J/mol×K 757.67 Calculated Property
Cp,gas 764.96 J/mol×K 838.44 Calculated Property
Cp,gas 795.24 J/mol×K 919.22 Calculated Property
Cp,gas 819.93 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)-, tetradecyl 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)-, heptyl ester.

Sources

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