Chemical Properties of 3-Fluorobenzoic acid, 4-methoxyphenyl ester

InChI

InChI=1S/C14H11FO3/c1-17-12-5-7-13(8-6-12)18-14(16)10-3-2-4-11(15)9-10/h2-9H,1H3

InChI Key

ZBFPQPBBCXQLRA-UHFFFAOYSA-N

Formula

C14H11FO3

SMILES

COc1ccc(OC(=O)c2cccc(F)c2)cc1

Molecular Weight¹

246.23

• 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).
• 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
ΔfG°	-261.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-455.30	kJ/mol	Joback Calculated Property
ΔfusH°	26.38	kJ/mol	Joback Calculated Property
ΔvapH°	63.38	kJ/mol	Joback Calculated Property
log10WS	-4.01		Crippen Calculated Property
logPoct/wat	3.054		Crippen Calculated Property
McVol	175.680	ml/mol	McGowan Calculated Property
Pc	2640.67	kPa	Joback Calculated Property
Inp	[1861.00; 1861.00]
Inp	1861.00		NIST
Inp	1861.00		NIST
Tboil	681.02	K	Joback Calculated Property
Tc	910.83	K	Joback Calculated Property
Tfus	420.40	K	Joback Calculated Property
Vc	0.663	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[446.99; 514.66]	J/mol×K	[681.02; 910.83]
Cp,gas	446.99	J/mol×K	681.02	Joback Calculated Property
Cp,gas	460.77	J/mol×K	719.32	Joback Calculated Property
Cp,gas	473.53	J/mol×K	757.62	Joback Calculated Property
Cp,gas	485.28	J/mol×K	795.93	Joback Calculated Property
Cp,gas	496.05	J/mol×K	834.23	Joback Calculated Property
Cp,gas	505.83	J/mol×K	872.53	Joback Calculated Property
Cp,gas	514.66	J/mol×K	910.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Fluorobenzoic acid, 4-methoxyphenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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