Chemical Properties of 2-Methoxybenzoic acid, 2,3,4,5-tetrafluorobenzyl ester

InChI

InChI=1S/C15H10F4O3/c1-21-11-5-3-2-4-9(11)15(20)22-7-8-6-10(16)13(18)14(19)12(8)17/h2-6H,7H2,1H3

InChI Key

RTELUQNVDVBLLI-UHFFFAOYSA-N

Formula

C15H10F4O3

SMILES

COc1ccccc1C(=O)OCc1cc(F)c(F)c(F)c1F

Molecular Weight¹

314.23

• 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	0.7245		Relay (... Calculated Property
ΔfG°	-866.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-987.46	kJ/mol	Relay (... Calculated Property
ΔfusH°	37.04	kJ/mol	Joback Calculated Property
ΔvapH°	86.44	kJ/mol	Relay (... Calculated Property
IE	8.55	eV	Relay (... Calculated Property
log10WS	-5.58		Relay (... Calculated Property
logPoct/wat	3.609		Crippen Calculated Property
McVol	195.080	ml/mol	McGowan Calculated Property
Pc	2025.41	kPa	Joback Calculated Property
Inp	[1905.00; 1905.00]
Inp	1905.00		NIST
Inp	1905.00		NIST
Tboil	588.81	K	Relay (... Calculated Property
Tc	814.19	K	Relay (... Calculated Property
Tfus	302.68	K	Relay (... Calculated Property
Vc	0.723	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[518.78; 579.14]	J/mol×K	[716.65; 919.03]
Cp,gas	518.78	J/mol×K	716.65	Joback Calculated Property
Cp,gas	530.83	J/mol×K	750.38	Joback Calculated Property
Cp,gas	542.09	J/mol×K	784.11	Joback Calculated Property
Cp,gas	552.55	J/mol×K	817.84	Joback Calculated Property
Cp,gas	562.21	J/mol×K	851.57	Joback Calculated Property
Cp,gas	571.07	J/mol×K	885.30	Joback Calculated Property
Cp,gas	579.14	J/mol×K	919.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Methoxybenzoic acid, 2,3,4,5-tetrafluorobenzyl ester.

Sources

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

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