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

InChI

InChI=1S/C11H12F2O3/c1-7-3-4-8(12)9(10(7)13)11(14)16-6-5-15-2/h3-4H,5-6H2,1-2H3

InChI Key

HLFABNDBTMQQHB-UHFFFAOYSA-N

Formula

C11H12F2O3

SMILES

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

Molecular Weight¹

230.21

• 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	0.6366		Relay (1.0) Calculated Property
ΔfG°	-603.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-811.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.25	kJ/mol	Joback Calculated Property
ΔvapH°	71.20	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-2.89		Relay (1.0) Calculated Property
logPoct/wat	2.076		Crippen Calculated Property
McVol	158.940	ml/mol	McGowan Calculated Property
Pc	2381.86	kPa	Joback Calculated Property
Inp	[1522.00; 1522.00]
Inp	1522.00		NIST
Inp	1522.00		NIST
Tboil	537.66	K	Relay (1.0) Calculated Property
Tc	735.24	K	Relay (1.0) Calculated Property
Tfus	279.56	K	Relay (1.0) Calculated Property
Vc	0.587	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[386.09; 450.94]	J/mol×K	[589.95; 781.64]
Cp,gas	386.09	J/mol×K	589.95	Joback Calculated Property
Cp,gas	398.28	J/mol×K	621.90	Joback Calculated Property
Cp,gas	409.93	J/mol×K	653.85	Joback Calculated Property
Cp,gas	421.02	J/mol×K	685.80	Joback Calculated Property
Cp,gas	431.56	J/mol×K	717.75	Joback Calculated Property
Cp,gas	441.54	J/mol×K	749.69	Joback Calculated Property
Cp,gas	450.94	J/mol×K	781.64	Joback Calculated Property

Similar Compounds

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

Sources

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

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