Chemical Properties of Glutaric acid, di(2-(4-fluorophenyl)ethyl) ester

InChI

InChI=1S/C21H22F2O4/c22-18-8-4-16(5-9-18)12-14-26-20(24)2-1-3-21(25)27-15-13-17-6-10-19(23)11-7-17/h4-11H,1-3,12-15H2

InChI Key

UPWSVNZEVYBERG-UHFFFAOYSA-N

Formula

C21H22F2O4

SMILES

O=C(CCCC(=O)OCCc1ccc(F)cc1)OCCc1ccc(F)cc1

Molecular Weight¹

376.39

• 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	0.9355		Relay (1.0) Calculated Property
ΔfG°	-525.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-973.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.18	kJ/mol	Joback Calculated Property
ΔvapH°	121.03	kJ/mol	Relay (1.0) Calculated Property
IE	8.58	eV	Relay (1.0) Calculated Property
log10WS	-5.18		Relay (1.0) Calculated Property
logPoct/wat	4.007		Crippen Calculated Property
McVol	277.650	ml/mol	McGowan Calculated Property
Pc	1479.29	kPa	Joback Calculated Property
Inp	[2718.00; 2718.00]
Inp	2718.00		NIST
Inp	2718.00		NIST
Tboil	683.91	K	Relay (1.0) Calculated Property
Tc	890.31	K	Relay (1.0) Calculated Property
Tfus	324.83	K	Relay (1.0) Calculated Property
Vc	1.034	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[852.67; 915.18]	J/mol×K	[894.32; 1107.29]
Cp,gas	852.67	J/mol×K	894.32	Joback Calculated Property
Cp,gas	865.98	J/mol×K	929.81	Joback Calculated Property
Cp,gas	878.08	J/mol×K	965.31	Joback Calculated Property
Cp,gas	889.02	J/mol×K	1000.80	Joback Calculated Property
Cp,gas	898.83	J/mol×K	1036.30	Joback Calculated Property
Cp,gas	907.54	J/mol×K	1071.79	Joback Calculated Property
Cp,gas	915.18	J/mol×K	1107.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(2-(4-fluorophenyl)ethyl) ester.

Sources

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

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