Chemical Properties of p-Methoxybenzoic acid, 3,5-difluorophenyl ester

InChI

InChI=1S/C14H10F2O3/c1-18-12-4-2-9(3-5-12)14(17)19-13-7-10(15)6-11(16)8-13/h2-8H,1H3

InChI Key

QBKARPAROGFPTR-UHFFFAOYSA-N

Formula

C14H10F2O3

SMILES

COc1ccc(C(=O)Oc2cc(F)cc(F)c2)cc1

Molecular Weight¹

264.22

• 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°	-465.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-662.88	kJ/mol	Joback Calculated Property
ΔfusH°	29.07	kJ/mol	Joback Calculated Property
ΔvapH°	63.23	kJ/mol	Joback Calculated Property
log10WS	-4.34		Crippen Calculated Property
logPoct/wat	3.193		Crippen Calculated Property
McVol	177.450	ml/mol	McGowan Calculated Property
Pc	2485.07	kPa	Joback Calculated Property
Inp	[1850.20; 1850.20]
Inp	1850.20		NIST
Inp	1850.20		NIST
Tboil	685.27	K	Joback Calculated Property
Tc	905.92	K	Joback Calculated Property
Tfus	433.51	K	Joback Calculated Property
Vc	0.681	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[453.84; 517.97]	J/mol×K	[685.27; 905.92]
Cp,gas	453.84	J/mol×K	685.27	Joback Calculated Property
Cp,gas	466.79	J/mol×K	722.04	Joback Calculated Property
Cp,gas	478.83	J/mol×K	758.82	Joback Calculated Property
Cp,gas	489.96	J/mol×K	795.59	Joback Calculated Property
Cp,gas	500.19	J/mol×K	832.37	Joback Calculated Property
Cp,gas	509.52	J/mol×K	869.14	Joback Calculated Property
Cp,gas	517.97	J/mol×K	905.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to p-Methoxybenzoic acid, 3,5-difluorophenyl ester.

Sources

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

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