Chemical Properties of 2,4-Difluorobenzoic acid, 2,2,2-trichloroethyl ester

InChI

InChI=1S/C9H5Cl3F2O2/c10-9(11,12)4-16-8(15)6-2-1-5(13)3-7(6)14/h1-3H,4H2

InChI Key

SZVGSWOLMKGTGH-UHFFFAOYSA-N

Formula

C9H5Cl3F2O2

SMILES

O=C(OCC(Cl)(Cl)Cl)c1ccc(F)cc1F

Molecular Weight¹

289.49

• 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°	-538.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-708.49	kJ/mol	Joback Calculated Property
ΔfusH°	26.45	kJ/mol	Joback Calculated Property
ΔvapH°	58.61	kJ/mol	Joback Calculated Property
log10WS	-4.36		Crippen Calculated Property
logPoct/wat	3.492		Crippen Calculated Property
McVol	161.610	ml/mol	McGowan Calculated Property
Pc	2721.17	kPa	Joback Calculated Property
Inp	[1553.00; 1553.00]
Inp	1553.00		NIST
Inp	1553.00		NIST
Tboil	625.85	K	Joback Calculated Property
Tc	848.15	K	Joback Calculated Property
Tfus	408.17	K	Joback Calculated Property
Vc	0.627	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[344.89; 388.78]	J/mol×K	[625.85; 848.15]
Cp,gas	344.89	J/mol×K	625.85	Joback Calculated Property
Cp,gas	353.90	J/mol×K	662.90	Joback Calculated Property
Cp,gas	362.19	J/mol×K	699.95	Joback Calculated Property
Cp,gas	369.78	J/mol×K	737.00	Joback Calculated Property
Cp,gas	376.72	J/mol×K	774.05	Joback Calculated Property
Cp,gas	383.04	J/mol×K	811.10	Joback Calculated Property
Cp,gas	388.78	J/mol×K	848.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Difluorobenzoic acid, 2,2,2-trichloroethyl ester.

Sources

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

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