Chemical Properties of 2-Trifluoromethylbenzoic acid, 2,2,2-trichloroethyl ester

InChI

InChI=1S/C10H6Cl3F3O2/c11-9(12,13)5-18-8(17)6-3-1-2-4-7(6)10(14,15)16/h1-4H,5H2

InChI Key

NPORQAZKKVHHCT-UHFFFAOYSA-N

Formula

C10H6Cl3F3O2

SMILES

O=C(OCC(Cl)(Cl)Cl)c1ccccc1C(F)(F)F

Molecular Weight¹

321.51

• 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°	-712.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-922.52	kJ/mol	Joback Calculated Property
ΔfusH°	25.10	kJ/mol	Joback Calculated Property
ΔvapH°	58.06	kJ/mol	Joback Calculated Property
log10WS	-4.80		Crippen Calculated Property
logPoct/wat	4.232		Crippen Calculated Property
McVol	177.470	ml/mol	McGowan Calculated Property
Pc	2441.06	kPa	Joback Calculated Property
Inp	[1581.00; 1581.00]
Inp	1581.00		NIST
Inp	1581.00		NIST
Tboil	639.79	K	Joback Calculated Property
Tc	859.54	K	Joback Calculated Property
Tfus	409.93	K	Joback Calculated Property
Vc	0.691	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[404.85; 451.74]	J/mol×K	[639.79; 859.54]
Cp,gas	404.85	J/mol×K	639.79	Joback Calculated Property
Cp,gas	414.70	J/mol×K	676.42	Joback Calculated Property
Cp,gas	423.64	J/mol×K	713.04	Joback Calculated Property
Cp,gas	431.75	J/mol×K	749.67	Joback Calculated Property
Cp,gas	439.09	J/mol×K	786.29	Joback Calculated Property
Cp,gas	445.73	J/mol×K	822.92	Joback Calculated Property
Cp,gas	451.74	J/mol×K	859.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Trifluoromethylbenzoic acid, 2,2,2-trichloroethyl ester.

Sources

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

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