Chemical Properties of 3,4-Difluorobenzoic acid, 4-benzyloxyphenyl ester

InChI

InChI=1S/C20H14F2O3/c21-18-11-6-15(12-19(18)22)20(23)25-17-9-7-16(8-10-17)24-13-14-4-2-1-3-5-14/h1-12H,13H2

InChI Key

VJJVUDXPCXDIKE-UHFFFAOYSA-N

Formula

C20H14F2O3

SMILES

O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccc(F)c(F)c1

Molecular Weight¹

340.32

• 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°	-302.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-550.19	kJ/mol	Joback Calculated Property
ΔfusH°	38.65	kJ/mol	Joback Calculated Property
ΔvapH°	78.86	kJ/mol	Joback Calculated Property
log10WS	-6.45		Crippen Calculated Property
logPoct/wat	4.763		Crippen Calculated Property
McVol	238.230	ml/mol	McGowan Calculated Property
Pc	1973.55	kPa	Joback Calculated Property
Inp	[2669.00; 2669.00]
Inp	2669.00		NIST
Inp	2669.00		NIST
Tboil	849.23	K	Joback Calculated Property
Tc	1085.47	K	Joback Calculated Property
Tfus	527.55	K	Joback Calculated Property
Vc	0.909	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[683.71; 742.99]	J/mol×K	[849.23; 1085.47]
Cp,gas	683.71	J/mol×K	849.23	Joback Calculated Property
Cp,gas	696.74	J/mol×K	888.60	Joback Calculated Property
Cp,gas	708.45	J/mol×K	927.98	Joback Calculated Property
Cp,gas	718.89	J/mol×K	967.35	Joback Calculated Property
Cp,gas	728.10	J/mol×K	1006.73	Joback Calculated Property
Cp,gas	736.12	J/mol×K	1046.10	Joback Calculated Property
Cp,gas	742.99	J/mol×K	1085.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Difluorobenzoic acid, 4-benzyloxyphenyl ester.

Sources

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

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