Chemical Properties of 3-Trifluoromethylbenzoic acid, 2,4,5-trichlorophenyl ester

InChI

InChI=1S/C14H6Cl3F3O2/c15-9-5-11(17)12(6-10(9)16)22-13(21)7-2-1-3-8(4-7)14(18,19)20/h1-6H

InChI Key

GGVWPJANJLZFBO-UHFFFAOYSA-N

Formula

C14H6Cl3F3O2

SMILES

O=C(Oc1cc(Cl)c(Cl)cc1Cl)c1cccc(C(F)(F)F)c1

Molecular Weight¹

369.55

• 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	0.6945		Relay (1.0) Calculated Property
ΔfG°	-598.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-872.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.75	kJ/mol	Joback Calculated Property
ΔvapH°	93.29	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
log10WS	-6.49		Relay (1.0) Calculated Property
logPoct/wat	5.885		Crippen Calculated Property
McVol	210.070	ml/mol	McGowan Calculated Property
Pc	2181.56	kPa	Joback Calculated Property
Inp	[2116.00; 2116.00]
Inp	2116.00		NIST
Inp	2116.00		NIST
Tboil	599.67	K	Relay (1.0) Calculated Property
Tc	886.36	K	Relay (1.0) Calculated Property
Tfus	355.71	K	Relay (1.0) Calculated Property
Vc	0.751	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[504.89; 548.84]	J/mol×K	[776.16; 1010.79]
Cp,gas	504.89	J/mol×K	776.16	Joback Calculated Property
Cp,gas	514.29	J/mol×K	815.26	Joback Calculated Property
Cp,gas	522.78	J/mol×K	854.37	Joback Calculated Property
Cp,gas	530.43	J/mol×K	893.47	Joback Calculated Property
Cp,gas	537.28	J/mol×K	932.58	Joback Calculated Property
Cp,gas	543.40	J/mol×K	971.68	Joback Calculated Property
Cp,gas	548.84	J/mol×K	1010.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Trifluoromethylbenzoic acid, 2,4,5-trichlorophenyl ester.

Sources

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

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