Chemical Properties of Glutaric acid, di(2-fluoro-3-trifluoromethylphenyl) ester

InChI

InChI=1S/C19H12F8O4/c20-16-10(18(22,23)24)4-1-6-12(16)30-14(28)8-3-9-15(29)31-13-7-2-5-11(17(13)21)19(25,26)27/h1-2,4-7H,3,8-9H2

InChI Key

ULWSLEUPGJJKNK-UHFFFAOYSA-N

Formula

C19H12F8O4

SMILES

O=C(CCCC(=O)Oc1cccc(C(F)(F)F)c1F)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

456.28

• 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°	-1725.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-2084.29	kJ/mol	Joback Calculated Property
ΔfusH°	46.88	kJ/mol	Joback Calculated Property
ΔvapH°	74.27	kJ/mol	Joback Calculated Property
log10WS	-7.04		Crippen Calculated Property
logPoct/wat	5.684		Crippen Calculated Property
McVol	260.090	ml/mol	McGowan Calculated Property
Pc	1402.74	kPa	Joback Calculated Property
Inp	[2194.00; 2194.00]
Inp	2194.00		NIST
Inp	2194.00		NIST
Tboil	847.68	K	Joback Calculated Property
Tc	1045.79	K	Joback Calculated Property
Tfus	560.69	K	Joback Calculated Property
Vc	1.054	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[782.83; 834.24]	J/mol×K	[847.68; 1045.79]
Cp,gas	782.83	J/mol×K	847.68	Joback Calculated Property
Cp,gas	793.52	J/mol×K	880.70	Joback Calculated Property
Cp,gas	803.29	J/mol×K	913.72	Joback Calculated Property
Cp,gas	812.20	J/mol×K	946.73	Joback Calculated Property
Cp,gas	820.30	J/mol×K	979.75	Joback Calculated Property
Cp,gas	827.63	J/mol×K	1012.77	Joback Calculated Property
Cp,gas	834.24	J/mol×K	1045.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(2-fluoro-3-trifluoromethylphenyl) ester.

Sources

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

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