Chemical Properties of p-Hydroxyphenylmandelic acid, acetyl, DTFMBz

p-Hydroxyphenylmandelic acid, acetyl, DTFMBz

InChI
InChI=1S/C21H16F6O6/c1-11(28)32-17-5-3-14(4-6-17)18(33-12(2)29)19(30)31-10-13-7-15(20(22,23)24)9-16(8-13)21(25,26)27/h3-9,18H,10H2,1-2H3
InChI Key
PDAVPCWROSEPFW-UHFFFAOYSA-N
Formula
C21H16F6O6
SMILES
CC(=O)Oc1ccc(C(OC(C)=O)C(=O)OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
Molecular Weight1
478.34
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Physical Properties

Property Value Unit Source
ΔfusH° 50.30 kJ/mol Joback Calculated Property
logPoct/wat 4.997 Crippen Calculated Property
McVol 292.170 ml/mol McGowan Calculated Property
Inp [2163.00; 2163.00]   Show Hide
Inp 2163.00 NIST
Inp 2163.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [439.08; 926.79] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.10310e+01
Coefficient B1.82644e+00
Coefficient C-1.14128e-03
Coefficient D2.20600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 439.08 J/mol×K 273.00 Calculated Property
Cp,gas 534.11 J/mol×K 353.78 Calculated Property
Cp,gas 617.31 J/mol×K 434.56 Calculated Property
Cp,gas 689.36 J/mol×K 515.33 Calculated Property
Cp,gas 750.97 J/mol×K 596.11 Calculated Property
Cp,gas 802.83 J/mol×K 676.89 Calculated Property
Cp,gas 845.65 J/mol×K 757.67 Calculated Property
Cp,gas 880.12 J/mol×K 838.44 Calculated Property
Cp,gas 906.93 J/mol×K 919.22 Calculated Property
Cp,gas 926.79 J/mol×K 1000.00 Calculated Property

Similar Compounds

p-Hydroxymandelic acid, propionyl, DTFMBz. Dihydroxymandelic acid, acetyl, DTFMBz. Vanillylmandelic acid, acetyl, DTFMBz. Dihydroxymandelic acid, propionyl, DTFMBz. p-Hydroxymandelic acid, TFA-ME. p-Hydroxyphenylacetic acid, acetyl, DTFMBz. 3,4-dihydroxymandelic acid, TFA-ME. m-Hydroxymandelic acid, TFA-ME. p-Hydroxyphenylacetic acid, propionyl, DTFMBz. 3,4-Dihydroxyphenylacetic acid, acetyl, DTFMBz. trans-Anthracene, 1,2-dihydro-1,2-diol, diacetate. Cilostazol. 3-Hydroxy-17alpha-oxa-d-homoestra-1,3,5(10),6,8-pentaen-17-one. 7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. [7-(Hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 1H-pyrrole-3-carboxylate.

Find more compounds similar to p-Hydroxyphenylmandelic acid, acetyl, DTFMBz.

Sources

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