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

InChI

InChI=1S/C12H12F4O3/c1-2-18-6-7-19-11(17)10-8(12(14,15)16)4-3-5-9(10)13/h3-5H,2,6-7H2,1H3

InChI Key

DGOHDNQXHIUHMN-UHFFFAOYSA-N

Formula

C12H12F4O3

SMILES

CCOCCOC(=O)c1c(F)cccc1C(F)(F)F

Molecular Weight¹

280.22

Other Names

• 6-Fluoro-2-trifluorobenzoic acid, 2-ethoxyethyl 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	0.6550		Relay (1.0) Calculated Property
ΔfG°	-972.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-1299.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.98	kJ/mol	Joback Calculated Property
ΔvapH°	68.80	kJ/mol	Relay (1.0) Calculated Property
IE	9.38	eV	Relay (1.0) Calculated Property
log10WS	-3.19		Relay (1.0) Calculated Property
logPoct/wat	3.038		Crippen Calculated Property
McVol	176.570	ml/mol	McGowan Calculated Property
Pc	2064.24	kPa	Joback Calculated Property
Inp	[1448.00; 1448.00]
Inp	1448.00		NIST
Inp	1448.00		NIST
Tboil	525.74	K	Relay (1.0) Calculated Property
Tc	713.58	K	Relay (1.0) Calculated Property
Tfus	256.37	K	Relay (1.0) Calculated Property
Vc	0.649	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[454.68; 520.21]	J/mol×K	[603.16; 785.63]
Cp,gas	454.68	J/mol×K	603.16	Joback Calculated Property
Cp,gas	467.25	J/mol×K	633.57	Joback Calculated Property
Cp,gas	479.14	J/mol×K	663.98	Joback Calculated Property
Cp,gas	490.36	J/mol×K	694.39	Joback Calculated Property
Cp,gas	500.94	J/mol×K	724.80	Joback Calculated Property
Cp,gas	510.89	J/mol×K	755.22	Joback Calculated Property
Cp,gas	520.21	J/mol×K	785.63	Joback Calculated Property

Similar Compounds

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

Sources

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

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