Chemical Properties of 3,4-Di hydroxyphenylacetic acid, TFA-ME

3,4-Di hydroxyphenylacetic acid, TFA-ME

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InChI
InChI=1S/C13H8F6O6/c1-23-9(20)5-6-2-3-7(24-10(21)12(14,15)16)8(4-6)25-11(22)13(17,18)19/h2-4H,5H2,1H3
InChI Key
PUWAMYRSSMUUBH-UHFFFAOYSA-N
Formula
C13H8F6O6
SMILES
COC(=O)Cc1ccc(OC(=O)C(F)(F)F)c(OC(=O)C(F)(F)F)c1
Molecular Weight1
374.19
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Physical Properties

Property Value Unit Source
Δf -1713.21 kJ/mol Joback Calculated Property
Δfgas -2026.62 kJ/mol Joback Calculated Property
Δfus 34.70 kJ/mol Joback Calculated Property
Δvap 68.11 kJ/mol Joback Calculated Property
log10WS -3.51 Crippen Calculated Property
logPoct/wat 2.337 Crippen Calculated Property
McVol 203.210 ml/mol McGowan Calculated Property
Pc 1959.60 kPa Joback Calculated Property
Inp [1390.00; 1390.00]   Show Hide
Inp 1390.00 NIST
Inp 1390.00 NIST
Tboil 751.51 K Joback Calculated Property
Tc 941.89 K Joback Calculated Property
Tfus 512.59 K Joback Calculated Property
Vc 0.814 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [577.74; 624.20] J/mol×K [751.51; 941.89] Show Hide
Cp,gas 577.74 J/mol×K 751.51 Joback Calculated Property
Cp,gas 587.36 J/mol×K 783.24 Joback Calculated Property
Cp,gas 596.21 J/mol×K 814.97 Joback Calculated Property
Cp,gas 604.29 J/mol×K 846.70 Joback Calculated Property
Cp,gas 611.64 J/mol×K 878.43 Joback Calculated Property
Cp,gas 618.27 J/mol×K 910.16 Joback Calculated Property
Cp,gas 624.20 J/mol×K 941.89 Joback Calculated Property

Similar Compounds

Homovanillic acid, TFA-ME. m-Hydroxyphenylacetic acid, TFA-ME. p-Hydroxyphenylacetic acid, TFA-ME. Benzeneacetic acid, 3,4-dimethoxy-, methyl ester. Benzeneacetic acid, 4-hydroxy-3-methoxy-, methyl ester. 3,4-Dihydroxyphenylacetic acid, acetyl, DTFMBz. Ethyl 3,4-dimethoxyphenyl acetate. Homovanillic acid, acetyl, DTFMBz. 3-Methoxy-4-benzyloxyphenylacetic acid, methyl ester. 3,4-Dihydroxyphenylacetic acid, propionyl, DTFMBz. Ethyl homovanillate. 2,5-Di hydroxyphenylacetic acid, TFA-ME. Benzeneacetic acid, 3-methoxy-, methyl ester. (3-methoxy-4-hexyloxy-phenyl)-acetic acid, methyl ester. Homovanillic acid, propionyl, DTFMBz.

Find more compounds similar to 3,4-Di hydroxyphenylacetic acid, TFA-ME.

Sources

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