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
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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [531.56; 592.85] J/mol×K [698.73; 886.93] Show Hide
Cp,gas 531.56 J/mol×K 698.73 Joback Calculated Property
Cp,gas 543.59 J/mol×K 730.10 Joback Calculated Property
Cp,gas 554.88 J/mol×K 761.46 Joback Calculated Property
Cp,gas 565.45 J/mol×K 792.83 Joback Calculated Property
Cp,gas 575.29 J/mol×K 824.20 Joback Calculated Property
Cp,gas 584.42 J/mol×K 855.57 Joback Calculated Property
Cp,gas 592.85 J/mol×K 886.93 Joback 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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