Chemical Properties of o-Hydroxymandelic acid, TFA-ME

o-Hydroxymandelic acid, TFA-ME

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InChI
InChI=1S/C13H8F6O6/c1-23-9(20)8(25-11(22)13(17,18)19)6-4-2-3-5-7(6)24-10(21)12(14,15)16/h2-5,8H,1H3
InChI Key
BLHLVZYDEGKOFS-UHFFFAOYSA-N
Formula
C13H8F6O6
SMILES
COC(=O)C(OC(=O)C(F)(F)F)c1ccccc1OC(=O)C(F)(F)F
Molecular Weight1
374.19
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Physical Properties

Property Value Unit Source
Δf -1706.02 kJ/mol Joback Calculated Property
Δfgas -2020.43 kJ/mol Joback Calculated Property
Δfus 31.57 kJ/mol Joback Calculated Property
Δvap 67.06 kJ/mol Joback Calculated Property
log10WS -3.35 Crippen Calculated Property
logPoct/wat 2.474 Crippen Calculated Property
McVol 203.210 ml/mol McGowan Calculated Property
Pc 2000.12 kPa Joback Calculated Property
Inp [1280.00; 1280.00]   Show Hide
Inp 1280.00 NIST
Inp 1280.00 NIST
Tboil 746.09 K Joback Calculated Property
Tc 937.97 K Joback Calculated Property
Tfus 485.07 K Joback Calculated Property
Vc 0.807 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [579.87; 627.20] J/mol×K [746.09; 937.97] Show Hide
Cp,gas 579.87 J/mol×K 746.09 Joback Calculated Property
Cp,gas 589.72 J/mol×K 778.07 Joback Calculated Property
Cp,gas 598.76 J/mol×K 810.05 Joback Calculated Property
Cp,gas 607.00 J/mol×K 842.03 Joback Calculated Property
Cp,gas 614.47 J/mol×K 874.01 Joback Calculated Property
Cp,gas 621.20 J/mol×K 905.99 Joback Calculated Property
Cp,gas 627.20 J/mol×K 937.97 Joback Calculated Property

Similar Compounds

m-Hydroxymandelic acid, TFA-ME. Mandelic acid, 2-hydroxy, DCTFA-acetate. 3,4-dihydroxymandelic acid, TFA-ME. Vanillylmandelic acid, TFA-ME. p-Hydroxymandelic acid, TFA-ME. cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3-methoxy, diacetate. o-Synephrine, TFA. cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, diacetate. cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3,4-dimethoxy, diacetate. Dihydroxymandelic acid, acetyl, DTFMBz. «delta»1-tetrahydrocannabinolic acid, TMS. propyl-«delta»1-tetrahydrocannabinolic acid, TMS. Vanillylmandelic acid, acetyl, DTFMBz. Silane, [(6a,7,8,9,10,10a-hexahydro-6,6-dimethyl-9-methylene-3-pentyl-6H-dibenzo[b,d]pyran-1-yl)oxy]dimethyl-2-propenyl-, (6aR-trans)-. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester.

Find more compounds similar to o-Hydroxymandelic acid, TFA-ME.

Sources

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