Chemical Properties of o-Hydroxymandelic acid, TFA-ME

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-1706.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-2020.43	kJ/mol	Joback Calculated Property
ΔfusH°	31.57	kJ/mol	Joback Calculated Property
ΔvapH°	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]
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]
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

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

Sources

• 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.