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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.5734		Relay (1.0) Calculated Property
ΔfG°	-904.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-1234.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.30	kJ/mol	Joback Calculated Property
ΔvapH°	72.52	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
log10WS	-2.24		Relay (1.0) 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	504.94	K	Relay (1.0) Calculated Property
Tc	691.14	K	Relay (1.0) Calculated Property
Tfus	282.26	K	Relay (1.0) Calculated Property
Vc	0.583	m3/kmol	Relay (1.0) 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

• Cheméo Relay (1.0)
• 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.