Chemical Properties of Glutaric acid, di(1-(2-fluorophenyl)ethyl) ester

InChI

InChI=1S/C21H22F2O4/c1-14(16-8-3-5-10-18(16)22)26-20(24)12-7-13-21(25)27-15(2)17-9-4-6-11-19(17)23/h3-6,8-11,14-15H,7,12-13H2,1-2H3

InChI Key

YAMDPLKCGDGOTG-UHFFFAOYSA-N

Formula

C21H22F2O4

SMILES

CC(OC(=O)CCCC(=O)OC(C)c1ccccc1F)c1ccccc1F

Molecular Weight¹

376.39

• 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°	-530.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-919.03	kJ/mol	Joback Calculated Property
ΔfusH°	42.14	kJ/mol	Joback Calculated Property
ΔvapH°	84.12	kJ/mol	Joback Calculated Property
log10WS	-6.12		Crippen Calculated Property
logPoct/wat	5.044		Crippen Calculated Property
McVol	277.650	ml/mol	McGowan Calculated Property
Pc	1497.67	kPa	Joback Calculated Property
Inp	[2499.00; 2499.00]
Inp	2499.00		NIST
Inp	2499.00		NIST
Tboil	893.44	K	Joback Calculated Property
Tc	1110.33	K	Joback Calculated Property
Tfus	519.81	K	Joback Calculated Property
Vc	1.067	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[853.72; 916.30]	J/mol×K	[893.44; 1110.33]
Cp,gas	853.72	J/mol×K	893.44	Joback Calculated Property
Cp,gas	867.20	J/mol×K	929.59	Joback Calculated Property
Cp,gas	879.42	J/mol×K	965.74	Joback Calculated Property
Cp,gas	890.41	J/mol×K	1001.88	Joback Calculated Property
Cp,gas	900.19	J/mol×K	1038.03	Joback Calculated Property
Cp,gas	908.81	J/mol×K	1074.18	Joback Calculated Property
Cp,gas	916.30	J/mol×K	1110.33	Joback Calculated Property

Similar Compounds

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

Sources

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

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