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

InChI

InChI=1S/C12H14F2O3/c1-3-16-6-7-17-12(15)10-9(13)5-4-8(2)11(10)14/h4-5H,3,6-7H2,1-2H3

InChI Key

JKLGZVWNLXTWJO-UHFFFAOYSA-N

Formula

C12H14F2O3

SMILES

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

Molecular Weight¹

244.23

• 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	0.6643		Relay (1.0) Calculated Property
ΔfG°	-594.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-848.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.85	kJ/mol	Joback Calculated Property
ΔvapH°	74.04	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-3.31		Relay (1.0) Calculated Property
logPoct/wat	2.467		Crippen Calculated Property
McVol	173.030	ml/mol	McGowan Calculated Property
Pc	2173.43	kPa	Joback Calculated Property
Inp	[1580.00; 1580.00]
Inp	1580.00		NIST
Inp	1580.00		NIST
Tboil	547.64	K	Relay (1.0) Calculated Property
Tc	739.80	K	Relay (1.0) Calculated Property
Tfus	262.63	K	Relay (1.0) Calculated Property
Vc	0.640	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[434.50; 503.16]	J/mol×K	[612.83; 802.33]
Cp,gas	434.50	J/mol×K	612.83	Joback Calculated Property
Cp,gas	447.45	J/mol×K	644.41	Joback Calculated Property
Cp,gas	459.81	J/mol×K	676.00	Joback Calculated Property
Cp,gas	471.56	J/mol×K	707.58	Joback Calculated Property
Cp,gas	482.71	J/mol×K	739.16	Joback Calculated Property
Cp,gas	493.24	J/mol×K	770.75	Joback Calculated Property
Cp,gas	503.16	J/mol×K	802.33	Joback Calculated Property

Similar Compounds

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

Sources

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

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