Chemical Properties of l-Alanine, N-(3-trifluoromethylbenzoyl)-, methyl ester

l-Alanine, N-(3-trifluoromethylbenzoyl)-, methyl ester

InChI
InChI=1S/C12H12F3NO3/c1-7(11(18)19-2)16-10(17)8-4-3-5-9(6-8)12(13,14)15/h3-7H,1-2H3,(H,16,17)
InChI Key
OFYKTKICXHHTMS-UHFFFAOYSA-N
Formula
C12H12F3NO3
SMILES
COC(=O)C(C)NC(=O)c1cccc(C(F)(F)F)c1
Molecular Weight1
275.22
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Physical Properties

Property Value Unit Source
ΔfusH° 28.28 kJ/mol Joback Calculated Property
logPoct/wat 1.997 Crippen Calculated Property
McVol 180.480 ml/mol McGowan Calculated Property
Inp 1594.00 NIST
Tboil 547.56 K Relay (1.0) Calculated Property
Tfus 357.50 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [489.51; 550.01] J/mol×K [680.09; 882.17] Show Hide
Cp,gas 489.51 J/mol×K 680.09 Joback Calculated Property
Cp,gas 501.62 J/mol×K 713.77 Joback Calculated Property
Cp,gas 512.87 J/mol×K 747.45 Joback Calculated Property
Cp,gas 523.30 J/mol×K 781.13 Joback Calculated Property
Cp,gas 532.95 J/mol×K 814.81 Joback Calculated Property
Cp,gas 541.84 J/mol×K 848.49 Joback Calculated Property
Cp,gas 550.01 J/mol×K 882.17 Joback Calculated Property

Similar Compounds

L-Alanine, N-(2-trifluoromethylbenzoyl)-, methyl ester. L-Alanine, N-(m-toluoyl)-, methyl ester. D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, ethyl ester. D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, ethyl ester. l-Alanine, N-(p-toluoyl)-, methyl ester. D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, propyl ester. D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, propyl ester. l-Alanine, N-(4-bromobenzoyl)-, methyl ester. D-alanine, n-(2-fluoro-3-trifluoromethylbenzoyl)-, isobutyl ester. D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, butyl ester. D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, butyl ester. D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, pentyl ester. L-Alanine, N-(3-fluorobenzoyl)-, methyl ester. l-Alanine, N-(4-fluorobenzoyl)-, methyl ester. D-Alanine, N-(3-fluoro-4-trifluoromethylbenzoyl)-, ethyl ester.

Find more compounds similar to l-Alanine, N-(3-trifluoromethylbenzoyl)-, methyl ester.

Sources

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