Chemical Properties of 2,5-Di hydroxyphenylacetic acid, TFA-ME

2,5-Di hydroxyphenylacetic acid, TFA-ME

InChI
InChI=1S/C13H8F6O6/c1-23-9(20)5-6-4-7(24-10(21)12(14,15)16)2-3-8(6)25-11(22)13(17,18)19/h2-4H,5H2,1H3
InChI Key
SCQAPRSNBPFUHP-UHFFFAOYSA-N
Formula
C13H8F6O6
SMILES
COC(=O)Cc1cc(OC(=O)C(F)(F)F)ccc1OC(=O)C(F)(F)F
Molecular Weight1
374.19
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Physical Properties

Property Value Unit Source
ΔfusH° 39.45 kJ/mol Joback Calculated Property
logPoct/wat 2.337 Crippen Calculated Property
McVol 203.210 ml/mol McGowan Calculated Property
Inp 1345.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 [568.96; 618.11] J/mol×K [697.50; 880.75] Show Hide
Cp,gas 568.96 J/mol×K 697.50 Joback Calculated Property
Cp,gas 579.25 J/mol×K 728.04 Joback Calculated Property
Cp,gas 588.67 J/mol×K 758.58 Joback Calculated Property
Cp,gas 597.25 J/mol×K 789.13 Joback Calculated Property
Cp,gas 605.00 J/mol×K 819.67 Joback Calculated Property
Cp,gas 611.94 J/mol×K 850.21 Joback Calculated Property
Cp,gas 618.11 J/mol×K 880.75 Joback Calculated Property

Similar Compounds

o-Hydroxyphenylacetic acid, TFA-ME. Homogentisic acid, dimethyl ether, methyl ester. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-desamino-COOH-), methyl-acetylated, II. m-Hydroxyphenylacetic acid, TFA-ME. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (desamino-HOOC-O-desmethyl-), methyl-TFA. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-desamino-COOH-), methyl-acetylated, I. 2-(4-Ethyl-2-acetoxy-5-methoxyphenyl)acetic acid, methyl ester. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-desamino-COOH), isomer 2, methyl-acetylated. Benzeneacetic acid, 2-methoxy-, methyl ester. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (desamino-COOH-), methyl. Benzeneacetic acid, 2,5-dimethoxy-. 3,4-Di hydroxyphenylacetic acid, TFA-ME. o-Hydroxymandelic acid, TFA-ME. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-desamino-COOH), isomer 2, methyl-acetylated. Homovanillic acid, TFA-ME.

Find more compounds similar to 2,5-Di hydroxyphenylacetic acid, TFA-ME.

Sources

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