Chemical Properties of Isophthalic acid, di(3-fluorophenyl) ester

InChI

InChI=1S/C20H12F2O4/c21-15-6-2-8-17(11-15)25-19(23)13-4-1-5-14(10-13)20(24)26-18-9-3-7-16(22)12-18/h1-12H

InChI Key

KXDSESZJFNCNKF-UHFFFAOYSA-N

Formula

C20H12F2O4

SMILES

O=C(Oc1cccc(F)c1)c1cccc(C(=O)Oc2cccc(F)c2)c1

Molecular Weight¹

354.30

• 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°	-431.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-662.77	kJ/mol	Joback Calculated Property
ΔfusH°	40.25	kJ/mol	Joback Calculated Property
ΔvapH°	85.61	kJ/mol	Joback Calculated Property
log10WS	-6.31		Crippen Calculated Property
logPoct/wat	4.403		Crippen Calculated Property
McVol	239.800	ml/mol	McGowan Calculated Property
Pc	2088.84	kPa	Joback Calculated Property
Inp	[2778.00; 2778.00]
Inp	2778.00		NIST
Inp	2778.00		NIST
Tboil	903.10	K	Joback Calculated Property
Tc	1144.49	K	Joback Calculated Property
Tfus	577.48	K	Joback Calculated Property
Vc	0.915	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[691.87; 737.51]	J/mol×K	[903.10; 1144.49]
Cp,gas	691.87	J/mol×K	903.10	Joback Calculated Property
Cp,gas	702.67	J/mol×K	943.33	Joback Calculated Property
Cp,gas	712.14	J/mol×K	983.56	Joback Calculated Property
Cp,gas	720.31	J/mol×K	1023.80	Joback Calculated Property
Cp,gas	727.24	J/mol×K	1064.03	Joback Calculated Property
Cp,gas	732.95	J/mol×K	1104.26	Joback Calculated Property
Cp,gas	737.51	J/mol×K	1144.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, di(3-fluorophenyl) ester.

Sources

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

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