Chemical Properties of 2,6-Difluoro-3-methylbenzoic acid, 2,3-dichlorophenyl ester

InChI

InChI=1S/C14H8Cl2F2O2/c1-7-5-6-9(17)11(13(7)18)14(19)20-10-4-2-3-8(15)12(10)16/h2-6H,1H3

InChI Key

MBCYNAZFXGUUAR-UHFFFAOYSA-N

Formula

C14H8Cl2F2O2

SMILES

Cc1ccc(F)c(C(=O)Oc2cccc(Cl)c2Cl)c1F

Molecular Weight¹

317.12

• 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	0.6731		Relay (1.0) Calculated Property
ΔfG°	-403.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-567.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.49	kJ/mol	Joback Calculated Property
ΔvapH°	91.02	kJ/mol	Relay (1.0) Calculated Property
IE	8.57	eV	Relay (1.0) Calculated Property
log10WS	-6.34		Relay (1.0) Calculated Property
logPoct/wat	4.799		Crippen Calculated Property
McVol	196.060	ml/mol	McGowan Calculated Property
Pc	2282.77	kPa	Joback Calculated Property
Inp	[2175.00; 2175.00]
Inp	2175.00		NIST
Inp	2175.00		NIST
Tboil	604.96	K	Relay (1.0) Calculated Property
Tc	886.79	K	Relay (1.0) Calculated Property
Tfus	342.33	K	Relay (1.0) Calculated Property
Vc	0.715	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[472.31; 524.21]	J/mol×K	[747.67; 978.33]
Cp,gas	472.31	J/mol×K	747.67	Joback Calculated Property
Cp,gas	483.11	J/mol×K	786.11	Joback Calculated Property
Cp,gas	493.02	J/mol×K	824.56	Joback Calculated Property
Cp,gas	502.07	J/mol×K	863.00	Joback Calculated Property
Cp,gas	510.27	J/mol×K	901.45	Joback Calculated Property
Cp,gas	517.65	J/mol×K	939.89	Joback Calculated Property
Cp,gas	524.21	J/mol×K	978.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, 2,3-dichlorophenyl ester.

Sources

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

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