Chemical Properties of Glutaric acid, 2,2,3,3-tetrafluoropropyl 4-biphenyl ester

InChI

InChI=1S/C20H18F4O4/c21-19(22)20(23,24)13-27-17(25)7-4-8-18(26)28-16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-3,5-6,9-12,19H,4,7-8,13H2

InChI Key

RXELXZOBYQVGPI-UHFFFAOYSA-N

Formula

C20H18F4O4

SMILES

O=C(CCCC(=O)Oc1ccc(-c2ccccc2)cc1)OCC(F)(F)C(F)F

Molecular Weight¹

398.35

• 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	0.8754		Relay (1.0) Calculated Property
ΔfG°	-913.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-1388.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.21	kJ/mol	Joback Calculated Property
ΔvapH°	109.51	kJ/mol	Relay (1.0) Calculated Property
IE	8.54	eV	Relay (1.0) Calculated Property
log10WS	-5.57		Relay (1.0) Calculated Property
logPoct/wat	4.873		Crippen Calculated Property
McVol	267.100	ml/mol	McGowan Calculated Property
Pc	1535.46	kPa	Joback Calculated Property
Inp	[2516.00; 2516.00]
Inp	2516.00		NIST
Inp	2516.00		NIST
Tboil	676.98	K	Relay (1.0) Calculated Property
Tc	877.74	K	Relay (1.0) Calculated Property
Tfus	376.78	K	Relay (1.0) Calculated Property
Vc	0.963	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[812.57; 872.94]	J/mol×K	[861.33; 1071.29]
Cp,gas	812.57	J/mol×K	861.33	Joback Calculated Property
Cp,gas	825.21	J/mol×K	896.32	Joback Calculated Property
Cp,gas	836.75	J/mol×K	931.32	Joback Calculated Property
Cp,gas	847.23	J/mol×K	966.31	Joback Calculated Property
Cp,gas	856.72	J/mol×K	1001.30	Joback Calculated Property
Cp,gas	865.27	J/mol×K	1036.29	Joback Calculated Property
Cp,gas	872.94	J/mol×K	1071.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3-tetrafluoropropyl 4-biphenyl ester.

Sources

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

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