Chemical Properties of Hippuric acid, TFA-ME

Hippuric acid, TFA-ME

InChI
InChI=1S/C12H10F3NO4/c1-19-9(17)7-16-10(8-5-3-2-4-6-8)20-11(18)12(13,14)15/h2-6H,7H2,1H3/b16-10-
InChI Key
IIEUKBPPYQDCCR-YBEGLDIGSA-N
Formula
C12H10F3NO4
SMILES
COC(=O)CN=C(OC(=O)C(F)(F)F)c1ccccc1
Molecular Weight1
289.21
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Physical Properties

Property Value Unit Source
ΔfH°gas -1156.27 kJ/mol Relay (1.0) Calculated Property
IE 9.41 eV Relay (1.0) Calculated Property
logPoct/wat 1.712 Crippen Calculated Property
McVol 182.050 ml/mol McGowan Calculated Property
Inp 1530.00 NIST
Tboil 547.77 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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.

Similar Compounds

Glycine, N-benzoyl, propyl ester. Glycine, N-(m-toluoy)-, methyl esterl. «beta»-Alanine, N-(3-methoxybenzoyl)-, nonyl ester. «beta»-Alanine, N-(3-methoxybenzoyl)-, heptyl ester. L-Valine, N-(3-fluorobenzoyl)-, pentadecyl ester. Butric acid, 2-benzamido-4[(carboxymethyl)thio]-, dimethyl ester. Isophthalic acid, monoamide, N-(2-ethylhexyl)-, butyl ester. 4,5-Oxazoledione, 2-phenyl-, 4-phenylhydrazone. Isophthalic acid, monoamide, N-(2-ethylhexyl)-, hexyl ester. Isophthalic acid, monoamide, N-(2-ethylhexyl)-, heptyl ester. Isophthalic acid, monoamide, N-(2-ethylhexyl)-, pentyl ester. L-Valine, N-(2-methoxybenzoyl)-, decyl ester. L-Valine, N-(2-methoxybenzoyl)-, tetradecyl ester. L-Valine, N-(2-methoxybenzoyl)-, dodecyl ester. L-Valine, N-(2-methoxybenzoyl)-, pentadecyl ester.

Find more compounds similar to Hippuric acid, TFA-ME.

Sources

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