Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, 4-chlorophenyl ester

InChI

InChI=1S/C15H7ClF6O2/c16-9-2-4-10(5-3-9)24-13(23)11-7-8(14(17,18)19)1-6-12(11)15(20,21)22/h1-7H

InChI Key

DNCVWWGBRFGAMZ-UHFFFAOYSA-N

Formula

C15H7ClF6O2

SMILES

O=C(Oc1ccc(Cl)cc1)c1cc(C(F)(F)F)ccc1C(F)(F)F

Molecular Weight¹

368.66

• 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°	-1137.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-1368.98	kJ/mol	Joback Calculated Property
ΔfusH°	32.16	kJ/mol	Joback Calculated Property
ΔvapH°	61.57	kJ/mol	Joback Calculated Property
log10WS	-6.45		Crippen Calculated Property
logPoct/wat	5.597		Crippen Calculated Property
McVol	204.990	ml/mol	McGowan Calculated Property
Pc	1950.95	kPa	Joback Calculated Property
Inp	[1726.00; 1726.00]
Inp	1726.00		NIST
Inp	1726.00		NIST
Tboil	713.78	K	Joback Calculated Property
Tc	922.89	K	Joback Calculated Property
Tfus	459.67	K	Joback Calculated Property
Vc	0.819	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[541.72; 594.86]	J/mol×K	[713.78; 922.89]
Cp,gas	541.72	J/mol×K	713.78	Joback Calculated Property
Cp,gas	552.71	J/mol×K	748.63	Joback Calculated Property
Cp,gas	562.76	J/mol×K	783.48	Joback Calculated Property
Cp,gas	571.93	J/mol×K	818.34	Joback Calculated Property
Cp,gas	580.29	J/mol×K	853.19	Joback Calculated Property
Cp,gas	587.91	J/mol×K	888.04	Joback Calculated Property
Cp,gas	594.86	J/mol×K	922.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 4-chlorophenyl ester.

Sources

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

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