Chemical Properties of 3-Fluoro-4-trifluoromethylbenzoic acid, 2-methoxyethyl ester

InChI

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

InChI Key

IBDXGGLVOLTUGB-UHFFFAOYSA-N

Formula

C11H10F4O3

SMILES

COCCOC(=O)c1ccc(C(F)(F)F)c(F)c1

Molecular Weight¹

266.19

• 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	[1368.00; 1368.00]
Inp	1368.00		NIST
Inp	1368.00		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 3-Fluoro-4-trifluoromethylbenzoic acid, 2-methoxyethyl ester.

Sources

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

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