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

InChI

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

InChI Key

FYWUAFJCEREHBU-UHFFFAOYSA-N

Formula

C12H12F4O3

SMILES

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

Molecular Weight¹

280.22

• 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	0.6709		Relay (1.0) Calculated Property
ΔfG°	-972.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-1330.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.98	kJ/mol	Joback Calculated Property
ΔvapH°	69.92	kJ/mol	Relay (1.0) Calculated Property
IE	9.56	eV	Relay (1.0) Calculated Property
log10WS	-3.41		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	[1437.00; 1437.00]
Inp	1437.00		NIST
Inp	1437.00		NIST
Tboil	530.52	K	Relay (1.0) Calculated Property
Tc	700.24	K	Relay (1.0) Calculated Property
Tfus	278.57	K	Relay (1.0) Calculated Property
Vc	0.654	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 3-Fluoro-4-trifluoromethylbenzoic acid, 2-ethoxyethyl ester.

Sources

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

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