Chemical Properties of Isophthalic acid, di(3,5-difluorophenyl) ester

InChI

InChI=1S/C20H10F4O4/c21-13-5-14(22)8-17(7-13)27-19(25)11-2-1-3-12(4-11)20(26)28-18-9-15(23)6-16(24)10-18/h1-10H

InChI Key

MPMAROPAUILXGC-UHFFFAOYSA-N

Formula

C20H10F4O4

SMILES

O=C(Oc1cc(F)cc(F)c1)c1cccc(C(=O)Oc2cc(F)cc(F)c2)c1

Molecular Weight¹

390.28

• 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°	-840.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-1077.93	kJ/mol	Joback Calculated Property
ΔfusH°	45.63	kJ/mol	Joback Calculated Property
ΔvapH°	85.30	kJ/mol	Joback Calculated Property
log10WS	-6.97		Crippen Calculated Property
logPoct/wat	4.681		Crippen Calculated Property
McVol	243.340	ml/mol	McGowan Calculated Property
Pc	1877.28	kPa	Joback Calculated Property
Inp	[2719.00; 2719.00]
Inp	2719.00		NIST
Inp	2719.00		NIST
Tboil	911.60	K	Joback Calculated Property
Tc	1140.42	K	Joback Calculated Property
Tfus	603.70	K	Joback Calculated Property
Vc	0.952	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[703.00; 743.56]	J/mol×K	[911.60; 1140.42]
Cp,gas	703.00	J/mol×K	911.60	Joback Calculated Property
Cp,gas	712.73	J/mol×K	949.74	Joback Calculated Property
Cp,gas	721.24	J/mol×K	987.87	Joback Calculated Property
Cp,gas	728.55	J/mol×K	1026.01	Joback Calculated Property
Cp,gas	734.69	J/mol×K	1064.15	Joback Calculated Property
Cp,gas	739.68	J/mol×K	1102.28	Joback Calculated Property
Cp,gas	743.56	J/mol×K	1140.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, di(3,5-difluorophenyl) ester.

Sources

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

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