Chemical Properties of 2-Methoxybenzoic acid, 2-fluorobenzyl ester

InChI

InChI=1S/C15H13FO3/c1-18-14-9-5-3-7-12(14)15(17)19-10-11-6-2-4-8-13(11)16/h2-9H,10H2,1H3

InChI Key

BVNJJHVNJKLFSJ-UHFFFAOYSA-N

Formula

C15H13FO3

SMILES

COc1ccccc1C(=O)OCc1ccccc1F

Molecular Weight¹

260.26

• 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	0.6555		Relay (1.0) Calculated Property
ΔfG°	-252.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-517.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.96	kJ/mol	Joback Calculated Property
ΔvapH°	90.62	kJ/mol	Relay (1.0) Calculated Property
IE	8.24	eV	Relay (1.0) Calculated Property
log10WS	-4.20		Relay (1.0) Calculated Property
logPoct/wat	3.191		Crippen Calculated Property
McVol	189.770	ml/mol	McGowan Calculated Property
Pc	2398.22	kPa	Joback Calculated Property
Inp	[2003.00; 2003.00]
Inp	2003.00		NIST
Inp	2003.00		NIST
Tboil	606.64	K	Relay (1.0) Calculated Property
Tc	848.92	K	Relay (1.0) Calculated Property
Tfus	305.48	K	Relay (1.0) Calculated Property
Vc	0.700	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[498.50; 568.57]	J/mol×K	[703.90; 929.52]
Cp,gas	498.50	J/mol×K	703.90	Joback Calculated Property
Cp,gas	512.76	J/mol×K	741.50	Joback Calculated Property
Cp,gas	525.96	J/mol×K	779.11	Joback Calculated Property
Cp,gas	538.12	J/mol×K	816.71	Joback Calculated Property
Cp,gas	549.27	J/mol×K	854.32	Joback Calculated Property
Cp,gas	559.41	J/mol×K	891.92	Joback Calculated Property
Cp,gas	568.57	J/mol×K	929.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Methoxybenzoic acid, 2-fluorobenzyl ester.

Sources

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

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