Chemical Properties of Mandelic acid, 3-hydroxy, DCTFA-acetate

Mandelic acid, 3-hydroxy, DCTFA-acetate

InChI
InChI=1S/C13H8Cl2F4O5/c1-6(20)22-8-4-2-3-7(5-8)9-10(21)24-11(23-9,12(14,16)17)13(15,18)19/h2-5,9H,1H3
InChI Key
NFIKAKAFHSSFLW-UHFFFAOYSA-N
Formula
C13H8Cl2F4O5
SMILES
CC(=O)Oc1cccc(C2OC(C(F)(F)Cl)(C(F)(F)Cl)OC2=O)c1
Molecular Weight1
391.10
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Physical Properties

Property Value Unit Source
ΔfusH° 38.59 kJ/mol Joback Calculated Property
IE 9.12 eV Relay (1.0) Calculated Property
logPoct/wat 3.586 Crippen Calculated Property
McVol 211.720 ml/mol McGowan Calculated Property
Inp 1739.00 NIST
Tboil 568.22 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [577.80; 634.44] J/mol×K [739.88; 955.36] Show Hide
Cp,gas 577.80 J/mol×K 739.88 Joback Calculated Property
Cp,gas 588.35 J/mol×K 775.79 Joback Calculated Property
Cp,gas 598.24 J/mol×K 811.71 Joback Calculated Property
Cp,gas 607.64 J/mol×K 847.62 Joback Calculated Property
Cp,gas 616.70 J/mol×K 883.53 Joback Calculated Property
Cp,gas 625.58 J/mol×K 919.45 Joback Calculated Property
Cp,gas 634.44 J/mol×K 955.36 Joback Calculated Property

Similar Compounds

Mandelic acid, 3,4-dihydroxy, DCTFA-acetate. Mandelic acid, 4-hydroxy, DCTFA-acetate. Mandelic acid, 2-hydroxy, DCTFA-acetate. 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. cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3-methoxy, diacetate. 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. cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, diacetate. Cialis. Cilostazol. N6-(cyclotetramethylene-tertbutylsilyl)-Adenosine, 2',3',5'-tris-O-TBDMS. AJMALINE, M(DIHYDRO-), AC. CODEIN-PROPIONYL. ERGOTAMINE. DIHYDROERGOTAMINE.

Find more compounds similar to Mandelic acid, 3-hydroxy, DCTFA-acetate.

Sources

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