Chemical Properties of 3-Fluorobenzoic acid, 3,5-difluorophenyl ester

InChI

InChI=1S/C13H7F3O2/c14-9-3-1-2-8(4-9)13(17)18-12-6-10(15)5-11(16)7-12/h1-7H

InChI Key

INKWJDUDXIXGOJ-UHFFFAOYSA-N

Formula

C13H7F3O2

SMILES

O=C(Oc1cc(F)cc(F)c1)c1cccc(F)c1

Molecular Weight¹

252.19

• 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°	-563.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-706.13	kJ/mol	Joback Calculated Property
ΔfusH°	28.37	kJ/mol	Joback Calculated Property
ΔvapH°	57.78	kJ/mol	Joback Calculated Property
log10WS	-4.55		Crippen Calculated Property
logPoct/wat	3.323		Crippen Calculated Property
McVol	159.260	ml/mol	McGowan Calculated Property
Pc	2662.52	kPa	Joback Calculated Property
Inp	[1535.00; 1535.00]
Inp	1535.00		NIST
Inp	1535.00		NIST
Tboil	639.24	K	Joback Calculated Property
Tc	856.53	K	Joback Calculated Property
Tfus	400.60	K	Joback Calculated Property
Vc	0.625	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[387.86; 447.69]	J/mol×K	[639.24; 856.53]
Cp,gas	387.86	J/mol×K	639.24	Joback Calculated Property
Cp,gas	399.84	J/mol×K	675.45	Joback Calculated Property
Cp,gas	410.99	J/mol×K	711.67	Joback Calculated Property
Cp,gas	421.33	J/mol×K	747.88	Joback Calculated Property
Cp,gas	430.88	J/mol×K	784.10	Joback Calculated Property
Cp,gas	439.66	J/mol×K	820.31	Joback Calculated Property
Cp,gas	447.69	J/mol×K	856.53	Joback Calculated Property

Similar Compounds

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

Sources

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

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