Chemical Properties of 6-Fluoro-2-trifluoromethylbenzoic acid, 2-methoxyethyl ester

InChI

InChI=1S/C11H10F4O3/c1-17-5-6-18-10(16)9-7(11(13,14)15)3-2-4-8(9)12/h2-4H,5-6H2,1H3

InChI Key

GQOLQAVQISJXFM-UHFFFAOYSA-N

Formula

C11H10F4O3

SMILES

COCCOC(=O)c1c(F)cccc1C(F)(F)F

Molecular Weight¹

266.19

Other Names

• 6-Fluoro-2-trifluorobenzoic acid, 2-methoxyethyl ester

• 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	0.6264		Relay (1.0) Calculated Property
ΔfG°	-980.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-1265.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.39	kJ/mol	Joback Calculated Property
ΔvapH°	65.68	kJ/mol	Relay (1.0) Calculated Property
IE	9.53	eV	Relay (1.0) Calculated Property
log10WS	-2.78		Relay (1.0) Calculated Property
logPoct/wat	2.648		Crippen Calculated Property
McVol	162.480	ml/mol	McGowan Calculated Property
Pc	2256.81	kPa	Joback Calculated Property
Inp	[1282.00; 1282.00]
Inp	1282.00		NIST
Inp	1282.00		NIST
Tboil	515.64	K	Relay (1.0) Calculated Property
Tc	707.71	K	Relay (1.0) Calculated Property
Tfus	272.19	K	Relay (1.0) Calculated Property
Vc	0.597	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[406.55; 468.56]	J/mol×K	[580.28; 764.52]
Cp,gas	406.55	J/mol×K	580.28	Joback Calculated Property
Cp,gas	418.44	J/mol×K	610.99	Joback Calculated Property
Cp,gas	429.69	J/mol×K	641.69	Joback Calculated Property
Cp,gas	440.32	J/mol×K	672.40	Joback Calculated Property
Cp,gas	450.33	J/mol×K	703.11	Joback Calculated Property
Cp,gas	459.74	J/mol×K	733.81	Joback Calculated Property
Cp,gas	468.56	J/mol×K	764.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Fluoro-2-trifluoromethylbenzoic acid, 2-methoxyethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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