Chemical Properties of 3-Chloro-2-fluorobenzoic acid, 2-methoxyethyl ester

InChI

InChI=1S/C10H10ClFO3/c1-14-5-6-15-10(13)7-3-2-4-8(11)9(7)12/h2-4H,5-6H2,1H3

InChI Key

RNNNNESXXKWNTO-UHFFFAOYSA-N

Formula

C10H10ClFO3

SMILES

COCCOC(=O)c1cccc(Cl)c1F

Molecular Weight¹

232.64

• 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	0.6140		Relay (... Calculated Property
ΔfG°	-419.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-631.22	kJ/mol	Relay (... Calculated Property
ΔfusH°	26.17	kJ/mol	Joback Calculated Property
ΔvapH°	72.37	kJ/mol	Relay (... Calculated Property
IE	9.27	eV	Relay (... Calculated Property
log10WS	-2.92		Relay (... Calculated Property
logPoct/wat	2.282		Crippen Calculated Property
McVol	155.320	ml/mol	McGowan Calculated Property
Pc	2684.64	kPa	Joback Calculated Property
Inp	[1599.00; 1599.00]
Inp	1599.00		NIST
Inp	1599.00		NIST
Tboil	550.51	K	Relay (... Calculated Property
Tc	750.85	K	Relay (... Calculated Property
Tfus	278.48	K	Relay (... Calculated Property
Vc	0.562	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[356.72; 416.44]	J/mol×K	[600.25; 806.83]
Cp,gas	356.72	J/mol×K	600.25	Joback Calculated Property
Cp,gas	368.19	J/mol×K	634.68	Joback Calculated Property
Cp,gas	379.06	J/mol×K	669.11	Joback Calculated Property
Cp,gas	389.32	J/mol×K	703.54	Joback Calculated Property
Cp,gas	398.98	J/mol×K	737.97	Joback Calculated Property
Cp,gas	408.02	J/mol×K	772.40	Joback Calculated Property
Cp,gas	416.44	J/mol×K	806.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Chloro-2-fluorobenzoic acid, 2-methoxyethyl ester.

Sources

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

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