Chemical Properties of 6-Fluoro-2-trifluoromethylbenzoic acid, 2-formyl-4,6-dichlorophenyl ester

InChI

InChI=1S/C15H6Cl2F4O3/c16-8-4-7(6-22)13(10(17)5-8)24-14(23)12-9(15(19,20)21)2-1-3-11(12)18/h1-6H

InChI Key

ZRFRAWVAPUGQQF-UHFFFAOYSA-N

Formula

C15H6Cl2F4O3

SMILES

O=Cc1cc(Cl)cc(Cl)c1OC(=O)c1c(F)cccc1C(F)(F)F

Molecular Weight¹

381.11

Other Names

• 6-Fluoro-2-trifluorobenzoic acid, 2-formyl-4,6-dichlorophenyl ester

• 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°	-881.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-1092.27	kJ/mol	Joback Calculated Property
ΔfusH°	39.12	kJ/mol	Joback Calculated Property
ΔvapH°	76.93	kJ/mol	Joback Calculated Property
log10WS	-6.61		Crippen Calculated Property
logPoct/wat	5.183		Crippen Calculated Property
McVol	215.260	ml/mol	McGowan Calculated Property
Pc	2092.66	kPa	Joback Calculated Property
Inp	[2098.00; 2098.00]
Inp	2098.00		NIST
Inp	2098.00		NIST
Tboil	814.52	K	Joback Calculated Property
Tc	1036.79	K	Joback Calculated Property
Tfus	553.03	K	Joback Calculated Property
Vc	0.860	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[550.01; 590.44]	J/mol×K	[814.52; 1036.79]
Cp,gas	550.01	J/mol×K	814.52	Joback Calculated Property
Cp,gas	558.68	J/mol×K	851.56	Joback Calculated Property
Cp,gas	566.53	J/mol×K	888.61	Joback Calculated Property
Cp,gas	573.58	J/mol×K	925.65	Joback Calculated Property
Cp,gas	579.89	J/mol×K	962.70	Joback Calculated Property
Cp,gas	585.49	J/mol×K	999.74	Joback Calculated Property
Cp,gas	590.44	J/mol×K	1036.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Fluoro-2-trifluoromethylbenzoic acid, 2-formyl-4,6-dichlorophenyl ester.

Sources

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

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