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

• 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°	-895.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-1089.87	kJ/mol	Joback Calculated Property
ΔfusH°	26.81	kJ/mol	Joback Calculated Property
ΔvapH°	50.43	kJ/mol	Joback Calculated Property
log10WS	-3.72		Crippen 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	572.41	K	Joback Calculated Property
Tc	764.45	K	Joback Calculated Property
Tfus	360.78	K	Joback Calculated Property
Vc	0.622	m3/kmol	Joback 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.