Chemical Properties of 3,4-dihydroxymandelic acid, TFA-ME

3,4-dihydroxymandelic acid, TFA-ME

InChI
InChI=1S/C15H7F9O8/c1-29-9(25)8(32-12(28)15(22,23)24)5-2-3-6(30-10(26)13(16,17)18)7(4-5)31-11(27)14(19,20)21/h2-4,8H,1H3
InChI Key
JQBMUKVTPUXGJQ-UHFFFAOYSA-N
Formula
C15H7F9O8
SMILES
COC(=O)C(OC(=O)C(F)(F)F)c1ccc(OC(=O)C(F)(F)F)c(OC(=O)C(F)(F)F)c1
Molecular Weight1
486.20
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Physical Properties

Property Value Unit Source
ΔfusH° 40.97 kJ/mol Joback Calculated Property
logPoct/wat 2.942 Crippen Calculated Property
McVol 244.140 ml/mol McGowan Calculated Property
Inp [1370.00; 1370.00]   Show Hide
Inp 1370.00 NIST
Inp 1370.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [741.51; 774.91] J/mol×K [867.70; 1064.98] Show Hide
Cp,gas 741.51 J/mol×K 867.70 Joback Calculated Property
Cp,gas 749.26 J/mol×K 900.58 Joback Calculated Property
Cp,gas 756.08 J/mol×K 933.46 Joback Calculated Property
Cp,gas 762.03 J/mol×K 966.34 Joback Calculated Property
Cp,gas 767.13 J/mol×K 999.22 Joback Calculated Property
Cp,gas 771.41 J/mol×K 1032.10 Joback Calculated Property
Cp,gas 774.91 J/mol×K 1064.98 Joback Calculated Property

Similar Compounds

Vanillylmandelic acid, TFA-ME. m-Hydroxymandelic acid, TFA-ME. p-Hydroxymandelic acid, TFA-ME. Dihydroxymandelic acid, acetyl, DTFMBz. Vanillylmandelic acid, acetyl, DTFMBz. Dihydroxymandelic acid, propionyl, DTFMBz. o-Hydroxymandelic acid, TFA-ME. Methyl (3,4-dimethoxyphenyl)(methoxy)acetate. Mandelic acid, 3,4-dihydroxy, DCTFA-acetate. p-Hydroxyphenylmandelic acid, acetyl, DTFMBz. p-Hydroxymandelic acid, propionyl, DTFMBz. DL-Metanephrine, N,O,O'-tris(pentafluoropropionyl)-. DL-Metanephrine, N,O,O'-tris(trifluoroacetyl)-. (-)-Epinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. (.+/-.)-Epinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-.

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

Sources

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