Chemical Properties of Methyl 2-hydroxy-4-methoxybenzoate, trifluoroacetate

InChI

InChI=1S/C11H9F3O5/c1-17-6-3-4-7(9(15)18-2)8(5-6)19-10(16)11(12,13)14/h3-5H,1-2H3

InChI Key

LUMDSUIKDRGIEW-UHFFFAOYSA-N

Formula

C11H9F3O5

SMILES

COC(=O)c1ccc(OC)cc1OC(=O)C(F)(F)F

Molecular Weight¹

278.18

• 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°	-1019.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-1275.68	kJ/mol	Joback Calculated Property
ΔfusH°	26.10	kJ/mol	Joback Calculated Property
ΔvapH°	60.66	kJ/mol	Joback Calculated Property
log10WS	-2.81		Crippen Calculated Property
logPoct/wat	1.950		Crippen Calculated Property
McVol	168.150	ml/mol	McGowan Calculated Property
Pc	2465.36	kPa	Joback Calculated Property
Inp	[1482.00; 1482.00]
Inp	1482.00		NIST
Inp	1482.00		NIST
Tboil	657.30	K	Joback Calculated Property
Tc	855.60	K	Joback Calculated Property
Tfus	435.93	K	Joback Calculated Property
Vc	0.652	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[437.65; 493.51]	J/mol×K	[657.30; 855.60]
Cp,gas	437.65	J/mol×K	657.30	Joback Calculated Property
Cp,gas	448.70	J/mol×K	690.35	Joback Calculated Property
Cp,gas	459.06	J/mol×K	723.40	Joback Calculated Property
Cp,gas	468.71	J/mol×K	756.45	Joback Calculated Property
Cp,gas	477.68	J/mol×K	789.50	Joback Calculated Property
Cp,gas	485.94	J/mol×K	822.55	Joback Calculated Property
Cp,gas	493.51	J/mol×K	855.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl 2-hydroxy-4-methoxybenzoate, trifluoroacetate.

Sources

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

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