Chemical Properties of o-Hydroxyphenylacetic acid, TFA-ME

InChI

InChI=1S/C11H9F3O4/c1-17-9(15)6-7-4-2-3-5-8(7)18-10(16)11(12,13)14/h2-5H,6H2,1H3

InChI Key

UXGADNRIZFNNOW-UHFFFAOYSA-N

Formula

C11H9F3O4

SMILES

COC(=O)Cc1ccccc1OC(=O)C(F)(F)F

Molecular Weight¹

262.18

• 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°	-904.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-1131.99	kJ/mol	Joback Calculated Property
ΔfusH°	25.30	kJ/mol	Joback Calculated Property
ΔvapH°	57.58	kJ/mol	Joback Calculated Property
log10WS	-2.53		Crippen Calculated Property
logPoct/wat	1.870		Crippen Calculated Property
McVol	162.280	ml/mol	McGowan Calculated Property
Pc	2545.61	kPa	Joback Calculated Property
Inp	[1245.00; 1245.00]
Inp	1245.00		NIST
Inp	1245.00		NIST
Tboil	629.90	K	Joback Calculated Property
Tc	828.90	K	Joback Calculated Property
Tfus	401.18	K	Joback Calculated Property
Vc	0.634	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[414.71; 472.40]	J/mol×K	[629.90; 828.90]
Cp,gas	414.71	J/mol×K	629.90	Joback Calculated Property
Cp,gas	426.13	J/mol×K	663.07	Joback Calculated Property
Cp,gas	436.81	J/mol×K	696.23	Joback Calculated Property
Cp,gas	446.75	J/mol×K	729.40	Joback Calculated Property
Cp,gas	455.99	J/mol×K	762.57	Joback Calculated Property
Cp,gas	464.53	J/mol×K	795.73	Joback Calculated Property
Cp,gas	472.40	J/mol×K	828.90	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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