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

• 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°	-980.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-1226.99	kJ/mol	Joback Calculated Property
ΔfusH°	26.39	kJ/mol	Joback Calculated Property
ΔvapH°	50.68	kJ/mol	Joback Calculated Property
log10WS	-3.07		Crippen 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	580.28	K	Joback Calculated Property
Tc	764.52	K	Joback Calculated Property
Tfus	364.36	K	Joback Calculated Property
Vc	0.646	m3/kmol	Joback 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

• 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.