Chemical Properties of «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, propyl ester

«beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, propyl ester

InChI
InChI=1S/C13H14F3NO3/c1-2-7-20-10(18)5-6-17-13(19)8-3-4-9(14)12(16)11(8)15/h3-4H,2,5-7H2,1H3,(H,17,19)
InChI Key
NQMCWLSODNIJLE-UHFFFAOYSA-N
Formula
C13H14F3NO3
SMILES
CCCOC(=O)CCNC(=O)c1ccc(F)c(F)c1F
Molecular Weight1
289.25
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Physical Properties

Property Value Unit Source
ΔfusH° 42.61 kJ/mol Joback Calculated Property
log10WS -3.98 Relay (1.0) Calculated Property
logPoct/wat 2.177 Crippen Calculated Property
McVol 194.570 ml/mol McGowan Calculated Property
Pc 2003.70 kPa Joback Calculated Property
Inp [1855.00; 1855.00]   Show Hide
Inp 1855.00 NIST
Inp 1855.00 NIST
Tboil 581.70 K Relay (1.0) Calculated Property
Tc 784.27 K Relay (1.0) Calculated Property
Tfus 321.68 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 [289.70; 617.59] 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 A4.98940e+01
Coefficient B1.01022e+00
Coefficient C-4.97980e-04
Coefficient D5.54600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 289.70 J/mol×K 273.00 Calculated Property
Cp,gas 347.42 J/mol×K 353.78 Calculated Property
Cp,gas 399.40 J/mol×K 434.56 Calculated Property
Cp,gas 445.84 J/mol×K 515.33 Calculated Property
Cp,gas 486.89 J/mol×K 596.11 Calculated Property
Cp,gas 522.74 J/mol×K 676.89 Calculated Property
Cp,gas 553.56 J/mol×K 757.67 Calculated Property
Cp,gas 579.52 J/mol×K 838.44 Calculated Property
Cp,gas 600.81 J/mol×K 919.22 Calculated Property
Cp,gas 617.59 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

Find more compounds similar to «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, propyl ester.

Sources

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