Chemical Properties of 3-Trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C14H7Cl2F3O2/c15-11-5-4-10(7-12(11)16)21-13(20)8-2-1-3-9(6-8)14(17,18)19/h1-7H

InChI Key

XEPBLASLHWVJHK-UHFFFAOYSA-N

Formula

C14H7Cl2F3O2

SMILES

O=C(Oc1ccc(Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1

Molecular Weight¹

335.11

• 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°	-576.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-767.00	kJ/mol	Joback Calculated Property
ΔfusH°	31.94	kJ/mol	Joback Calculated Property
ΔvapH°	67.47	kJ/mol	Joback Calculated Property
log10WS	-6.03		Crippen Calculated Property
logPoct/wat	5.231		Crippen Calculated Property
McVol	197.830	ml/mol	McGowan Calculated Property
Pc	2291.52	kPa	Joback Calculated Property
Inp	[1955.00; 1955.00]
Inp	1955.00		NIST
Inp	1955.00		NIST
Tboil	733.75	K	Joback Calculated Property
Tc	965.13	K	Joback Calculated Property
Tfus	474.13	K	Joback Calculated Property
Vc	0.768	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[486.25; 536.94]	J/mol×K	[733.75; 965.13]
Cp,gas	486.25	J/mol×K	733.75	Joback Calculated Property
Cp,gas	496.93	J/mol×K	772.31	Joback Calculated Property
Cp,gas	506.63	J/mol×K	810.88	Joback Calculated Property
Cp,gas	515.43	J/mol×K	849.44	Joback Calculated Property
Cp,gas	523.37	J/mol×K	888.01	Joback Calculated Property
Cp,gas	530.52	J/mol×K	926.57	Joback Calculated Property
Cp,gas	536.94	J/mol×K	965.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester.

Sources

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

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