Chemical Properties of Glutaric acid, di(1-phenyl-2,2,2-trifluoroethyl) ester

InChI

InChI=1S/C21H18F6O4/c22-20(23,24)18(14-8-3-1-4-9-14)30-16(28)12-7-13-17(29)31-19(21(25,26)27)15-10-5-2-6-11-15/h1-6,8-11,18-19H,7,12-13H2

InChI Key

FWOJYBOWTLUQGV-UHFFFAOYSA-N

Formula

C21H18F6O4

SMILES

O=C(CCCC(=O)OC(c1ccccc1)C(F)(F)F)OC(c1ccccc1)C(F)(F)F

Molecular Weight¹

448.36

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7977		Relay (1.0) Calculated Property
ΔfG°	-1285.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-1889.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.41	kJ/mol	Joback Calculated Property
ΔvapH°	110.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.28	eV	Relay (1.0) Calculated Property
log10WS	-5.72		Relay (1.0) Calculated Property
logPoct/wat	5.850		Crippen Calculated Property
McVol	284.730	ml/mol	McGowan Calculated Property
Pc	1375.82	kPa	Joback Calculated Property
Inp	[2230.00; 2230.00]
Inp	2230.00		NIST
Inp	2230.00		NIST
Tboil	631.07	K	Relay (1.0) Calculated Property
Tc	854.51	K	Relay (1.0) Calculated Property
Tfus	363.72	K	Relay (1.0) Calculated Property
Vc	1.031	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[887.12; 946.85]	J/mol×K	[874.10; 1081.55]
Cp,gas	887.12	J/mol×K	874.10	Joback Calculated Property
Cp,gas	899.47	J/mol×K	908.67	Joback Calculated Property
Cp,gas	910.75	J/mol×K	943.25	Joback Calculated Property
Cp,gas	921.04	J/mol×K	977.82	Joback Calculated Property
Cp,gas	930.43	J/mol×K	1012.40	Joback Calculated Property
Cp,gas	939.01	J/mol×K	1046.97	Joback Calculated Property
Cp,gas	946.85	J/mol×K	1081.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(1-phenyl-2,2,2-trifluoroethyl) ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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