Chemical Properties of 2,5-Difluorobenzoic acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C13H6Cl2F2O2/c14-10-3-2-8(6-11(10)15)19-13(18)9-5-7(16)1-4-12(9)17/h1-6H

InChI Key

LQGUUHGHXIRVMM-UHFFFAOYSA-N

Formula

C13H6Cl2F2O2

SMILES

O=C(Oc1ccc(Cl)c(Cl)c1)c1cc(F)ccc1F

Molecular Weight¹

303.09

• 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°	-402.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-552.97	kJ/mol	Joback Calculated Property
ΔfusH°	33.29	kJ/mol	Joback Calculated Property
ΔvapH°	68.02	kJ/mol	Joback Calculated Property
log10WS	-5.59		Crippen Calculated Property
logPoct/wat	4.491		Crippen Calculated Property
McVol	181.970	ml/mol	McGowan Calculated Property
Pc	2545.61	kPa	Joback Calculated Property
Inp	[2043.00; 2043.00]
Inp	2043.00		NIST
Inp	2043.00		NIST
Tboil	719.81	K	Joback Calculated Property
Tc	953.95	K	Joback Calculated Property
Tfus	472.37	K	Joback Calculated Property
Vc	0.706	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[423.27; 472.65]	J/mol×K	[719.81; 953.95]
Cp,gas	423.27	J/mol×K	719.81	Joback Calculated Property
Cp,gas	433.60	J/mol×K	758.83	Joback Calculated Property
Cp,gas	443.05	J/mol×K	797.86	Joback Calculated Property
Cp,gas	451.67	J/mol×K	836.88	Joback Calculated Property
Cp,gas	459.45	J/mol×K	875.90	Joback Calculated Property
Cp,gas	466.44	J/mol×K	914.93	Joback Calculated Property
Cp,gas	472.65	J/mol×K	953.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Difluorobenzoic acid, 3,4-dichlorophenyl ester.

Sources

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

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