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

InChI

InChI=1S/C10H10F2O2/c1-3-14-10(13)8-7(11)5-4-6(2)9(8)12/h4-5H,3H2,1-2H3

InChI Key

IWFXOLBZIKXIRR-UHFFFAOYSA-N

Formula

C10H10F2O2

SMILES

CCOC(=O)c1c(F)ccc(C)c1F

Molecular Weight¹

200.18

• 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	0.5404		Relay (1.0) Calculated Property
ΔfG°	-506.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-705.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.48	kJ/mol	Joback Calculated Property
ΔvapH°	63.83	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-3.61		Relay (1.0) Calculated Property
logPoct/wat	2.450		Crippen Calculated Property
McVol	138.980	ml/mol	McGowan Calculated Property
Pc	2668.02	kPa	Joback Calculated Property
Inp	[1269.00; 1269.00]
Inp	1269.00		NIST
Inp	1269.00		NIST
Tboil	501.27	K	Relay (1.0) Calculated Property
Tc	699.38	K	Relay (1.0) Calculated Property
Tfus	271.96	K	Relay (1.0) Calculated Property
Vc	0.521	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[316.13; 376.92]	J/mol×K	[544.65; 740.32]
Cp,gas	316.13	J/mol×K	544.65	Joback Calculated Property
Cp,gas	327.55	J/mol×K	577.26	Joback Calculated Property
Cp,gas	338.45	J/mol×K	609.87	Joback Calculated Property
Cp,gas	348.84	J/mol×K	642.49	Joback Calculated Property
Cp,gas	358.71	J/mol×K	675.10	Joback Calculated Property
Cp,gas	368.07	J/mol×K	707.71	Joback Calculated Property
Cp,gas	376.92	J/mol×K	740.32	Joback Calculated Property

Similar Compounds

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

Sources

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

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