Chemical Properties of 3-Fluoro-5-trifluoromethylbenzoic acid, 2-methoxyethyl ester

InChI

InChI=1S/C11H10F4O3/c1-17-2-3-18-10(16)7-4-8(11(13,14)15)6-9(12)5-7/h4-6H,2-3H2,1H3

InChI Key

DASBOCHAIOLLTR-UHFFFAOYSA-N

Formula

C11H10F4O3

SMILES

COCCOC(=O)c1cc(F)cc(C(F)(F)F)c1

Molecular Weight¹

266.19

• 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	0.6377		Relay (1.0) Calculated Property
ΔfG°	-980.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-1290.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.39	kJ/mol	Joback Calculated Property
ΔvapH°	66.98	kJ/mol	Relay (1.0) Calculated Property
IE	9.66	eV	Relay (1.0) Calculated Property
log10WS	-3.20		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	[1278.00; 1278.00]
Inp	1278.00		NIST
Inp	1278.00		NIST
Tboil	512.88	K	Relay (1.0) Calculated Property
Tc	708.79	K	Relay (1.0) Calculated Property
Tfus	301.23	K	Relay (1.0) Calculated Property
Vc	0.602	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 3-Fluoro-5-trifluoromethylbenzoic acid, 2-methoxyethyl ester.

Sources

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

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