Chemical Properties of 2-Chloro-4-fluoro-phenyl trifluoroacetate

InChI

InChI=1S/C8H3ClF4O2/c9-5-3-4(10)1-2-6(5)15-7(14)8(11,12)13/h1-3H

InChI Key

DWZXRGYAJCHOGN-UHFFFAOYSA-N

Formula

C8H3ClF4O2

SMILES

O=C(Oc1ccc(F)cc1Cl)C(F)(F)F

Molecular Weight¹

242.56

• 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°	-912.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-1048.59	kJ/mol	Joback Calculated Property
ΔfusH°	21.63	kJ/mol	Joback Calculated Property
ΔvapH°	45.98	kJ/mol	Joback Calculated Property
log10WS	-3.46		Crippen Calculated Property
logPoct/wat	2.947		Crippen Calculated Property
McVol	126.580	ml/mol	McGowan Calculated Property
Pc	2963.34	kPa	Joback Calculated Property
Inp	[974.00; 974.00]
Inp	974.00		NIST
Inp	974.00		NIST
Tboil	526.65	K	Joback Calculated Property
Tc	723.77	K	Joback Calculated Property
Tfus	338.24	K	Joback Calculated Property
Vc	0.509	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[274.03; 318.53]	J/mol×K	[526.65; 723.77]
Cp,gas	274.03	J/mol×K	526.65	Joback Calculated Property
Cp,gas	282.83	J/mol×K	559.50	Joback Calculated Property
Cp,gas	291.05	J/mol×K	592.36	Joback Calculated Property
Cp,gas	298.71	J/mol×K	625.21	Joback Calculated Property
Cp,gas	305.83	J/mol×K	658.07	Joback Calculated Property
Cp,gas	312.43	J/mol×K	690.92	Joback Calculated Property
Cp,gas	318.53	J/mol×K	723.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloro-4-fluoro-phenyl trifluoroacetate.

Sources

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

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