Chemical Properties of m-Hydroxymandelic acid, TFA-ME

InChI

InChI=1S/C13H8F6O6/c1-23-9(20)8(25-11(22)13(17,18)19)6-3-2-4-7(5-6)24-10(21)12(14,15)16/h2-5,8H,1H3

InChI Key

HUTNUVOTJSFESA-UHFFFAOYSA-N

Formula

C13H8F6O6

SMILES

COC(=O)C(OC(=O)C(F)(F)F)c1cccc(OC(=O)C(F)(F)F)c1

Molecular Weight¹

374.19

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy, 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	[570.77; 621.20]	J/mol×K	[692.08; 876.99]
Cp,gas	570.77	J/mol×K	692.08	Joback Calculated Property
Cp,gas	581.39	J/mol×K	722.90	Joback Calculated Property
Cp,gas	591.09	J/mol×K	753.72	Joback Calculated Property
Cp,gas	599.89	J/mol×K	784.54	Joback Calculated Property
Cp,gas	607.83	J/mol×K	815.36	Joback Calculated Property
Cp,gas	614.92	J/mol×K	846.17	Joback Calculated Property
Cp,gas	621.20	J/mol×K	876.99	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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