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

InChI

InChI=1S/C10H7ClF4O2/c11-3-4-17-9(16)6-1-2-7(8(12)5-6)10(13,14)15/h1-2,5H,3-4H2

InChI Key

PPQCZTZJWICKQD-UHFFFAOYSA-N

Formula

C10H7ClF4O2

SMILES

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

Molecular Weight¹

270.61

• 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	0.6152		Relay (1.0) Calculated Property
ΔfG°	-895.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-1163.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.81	kJ/mol	Joback Calculated Property
ΔvapH°	64.89	kJ/mol	Relay (1.0) Calculated Property
IE	10.15	eV	Relay (1.0) Calculated Property
log10WS	-4.07		Relay (1.0) Calculated Property
logPoct/wat	3.240		Crippen Calculated Property
McVol	154.760	ml/mol	McGowan Calculated Property
Pc	2429.05	kPa	Joback Calculated Property
Inp	[1408.00; 1408.00]
Inp	1408.00		NIST
Inp	1408.00		NIST
Tboil	511.67	K	Relay (1.0) Calculated Property
Tc	703.95	K	Relay (1.0) Calculated Property
Tfus	302.62	K	Relay (1.0) Calculated Property
Vc	0.561	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[361.89; 415.90]	J/mol×K	[572.41; 764.45]
Cp,gas	361.89	J/mol×K	572.41	Joback Calculated Property
Cp,gas	372.46	J/mol×K	604.42	Joback Calculated Property
Cp,gas	382.37	J/mol×K	636.42	Joback Calculated Property
Cp,gas	391.65	J/mol×K	668.43	Joback Calculated Property
Cp,gas	400.32	J/mol×K	700.43	Joback Calculated Property
Cp,gas	408.39	J/mol×K	732.44	Joback Calculated Property
Cp,gas	415.90	J/mol×K	764.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Fluoro-4-trifluoromethylbenzoic acid, 2-chloroethyl ester.

Sources

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

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