Chemical Properties of 3,4-Difluorobenzoic acid, 3,5-difluophenyl ester

InChI

InChI=1S/C13H6F4O2/c14-8-4-9(15)6-10(5-8)19-13(18)7-1-2-11(16)12(17)3-7/h1-6H

InChI Key

DDTYNYKFAFNJCY-UHFFFAOYSA-N

Formula

C13H6F4O2

SMILES

O=C(Oc1cc(F)cc(F)c1)c1ccc(F)c(F)c1

Molecular Weight¹

270.18

• 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°	-768.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-913.71	kJ/mol	Joback Calculated Property
ΔfusH°	31.06	kJ/mol	Joback Calculated Property
ΔvapH°	57.62	kJ/mol	Joback Calculated Property
log10WS	-4.88		Crippen Calculated Property
logPoct/wat	3.462		Crippen Calculated Property
McVol	161.030	ml/mol	McGowan Calculated Property
Pc	2505.01	kPa	Joback Calculated Property
Inp	[1553.00; 1553.00]
Inp	1553.00		NIST
Inp	1553.00		NIST
Tboil	643.49	K	Joback Calculated Property
Tc	852.13	K	Joback Calculated Property
Tfus	413.71	K	Joback Calculated Property
Vc	0.643	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[394.83; 451.33]	J/mol×K	[643.49; 852.13]
Cp,gas	394.83	J/mol×K	643.49	Joback Calculated Property
Cp,gas	406.05	J/mol×K	678.26	Joback Calculated Property
Cp,gas	416.52	J/mol×K	713.04	Joback Calculated Property
Cp,gas	426.28	J/mol×K	747.81	Joback Calculated Property
Cp,gas	435.32	J/mol×K	782.58	Joback Calculated Property
Cp,gas	443.67	J/mol×K	817.36	Joback Calculated Property
Cp,gas	451.33	J/mol×K	852.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Difluorobenzoic acid, 3,5-difluophenyl ester.

Sources

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

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