Chemical Properties of Dihydroxymandelic acid, propionyl, DTFMBz

Dihydroxymandelic acid, propionyl, DTFMBz

InChI
InChI=1S/C26H24F6O8/c1-4-20(33)38-18-8-7-15(11-19(18)39-21(34)5-2)23(40-22(35)6-3)24(36)37-13-14-9-16(25(27,28)29)12-17(10-14)26(30,31)32/h7-12,23H,4-6,13H2,1-3H3
InChI Key
AAGGYOSZFLUBLF-UHFFFAOYSA-N
Formula
C26H24F6O8
SMILES
CCC(=O)Oc1ccc(C(OC(=O)CC)C(=O)OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC(=O)CC
Molecular Weight1
578.45
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Physical Properties

Property Value Unit Source
ω 1.1753 Relay (1.0) Calculated Property
ΔfG° -1746.96 kJ/mol Joback Calculated Property
ΔfH°gas -2589.72 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 60.90 kJ/mol Joback Calculated Property
ΔvapH° 117.89 kJ/mol Relay (1.0) Calculated Property
IE 8.72 eV Relay (1.0) Calculated Property
log10WS -6.73 Relay (1.0) Calculated Property
logPoct/wat 6.093 Crippen Calculated Property
McVol 370.060 ml/mol McGowan Calculated Property
Pc 1006.53 kPa Joback Calculated Property
Inp 2519.00 NIST
Tboil 686.30 K Relay (1.0) Calculated Property
Tc 945.56 K Relay (1.0) Calculated Property
Tfus 383.23 K Relay (1.0) Calculated Property
Vc 1.361 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1226.27; 1238.06] J/mol×K [1161.44; 1434.92] Show Hide
Cp,gas 1226.27 J/mol×K 1161.44 Joback Calculated Property
Cp,gas 1232.19 J/mol×K 1207.02 Joback Calculated Property
Cp,gas 1236.06 J/mol×K 1252.60 Joback Calculated Property
Cp,gas 1237.98 J/mol×K 1298.18 Joback Calculated Property
Cp,gas 1238.06 J/mol×K 1343.76 Joback Calculated Property
Cp,gas 1236.39 J/mol×K 1389.34 Joback Calculated Property
Cp,gas 1233.06 J/mol×K 1434.92 Joback Calculated Property

Similar Compounds

Dihydroxymandelic acid, acetyl, DTFMBz. Vanillylmandelic acid, acetyl, DTFMBz. p-Hydroxymandelic acid, propionyl, DTFMBz. 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. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TPS. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-acetyl. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-acetyl. Tryptophan-leucine-methionine,N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3,4-dimethoxy, diacetate. ethylmorphine, propionic ester. uridine-2'(3')-monophosphate, TMS. Ergocristine. Codeine-propionyl. Ajmaline. Galantamin.

Find more compounds similar to Dihydroxymandelic acid, propionyl, DTFMBz.

Sources

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