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

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

InChI
InChI=1S/C13H15F2NO3/c1-2-8-19-11(17)6-7-16-13(18)12-9(14)4-3-5-10(12)15/h3-5H,2,6-8H2,1H3,(H,16,18)
InChI Key
CFMOGIPGQWTXEY-UHFFFAOYSA-N
Formula
C13H15F2NO3
SMILES
CCCOC(=O)CCNC(=O)c1c(F)cccc1F
Molecular Weight1
271.26
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Physical Properties

Property Value Unit Source
ΔfusH° 39.92 kJ/mol Joback Calculated Property
log10WS -3.56 Relay (1.0) Calculated Property
logPoct/wat 2.038 Crippen Calculated Property
McVol 192.800 ml/mol McGowan Calculated Property
Pc 2115.83 kPa Joback Calculated Property
Inp 1972.00 NIST
Tboil 587.93 K Relay (1.0) Calculated Property
Tc 802.32 K Relay (1.0) Calculated Property
Tfus 330.86 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [278.95; 613.56] 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 A2.95040e+01
Coefficient B1.05792e+00
Coefficient C-5.48620e-04
Coefficient D7.47600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 278.95 J/mol×K 273.00 Calculated Property
Cp,gas 338.42 J/mol×K 353.78 Calculated Property
Cp,gas 391.76 J/mol×K 434.56 Calculated Property
Cp,gas 439.22 J/mol×K 515.33 Calculated Property
Cp,gas 481.03 J/mol×K 596.11 Calculated Property
Cp,gas 517.42 J/mol×K 676.89 Calculated Property
Cp,gas 548.63 J/mol×K 757.67 Calculated Property
Cp,gas 574.90 J/mol×K 838.44 Calculated Property
Cp,gas 596.47 J/mol×K 919.22 Calculated Property
Cp,gas 613.56 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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