Chemical Properties of Glutaric acid, 2-fluorophenyl 2-isopropoxyphenyl ester

InChI

InChI=1S/C20H21FO5/c1-14(2)24-17-10-5-6-11-18(17)26-20(23)13-7-12-19(22)25-16-9-4-3-8-15(16)21/h3-6,8-11,14H,7,12-13H2,1-2H3

InChI Key

FTWKSCWAQUIBAV-UHFFFAOYSA-N

Formula

C20H21FO5

SMILES

CC(C)Oc1ccccc1OC(=O)CCCC(=O)Oc1ccccc1F

Molecular Weight¹

360.38

• 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°	-447.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-829.22	kJ/mol	Joback Calculated Property
ΔfusH°	41.18	kJ/mol	Joback Calculated Property
ΔvapH°	85.51	kJ/mol	Joback Calculated Property
log10WS	-5.57		Crippen Calculated Property
logPoct/wat	4.294		Crippen Calculated Property
McVol	267.660	ml/mol	McGowan Calculated Property
Pc	1641.76	kPa	Joback Calculated Property
Inp	[2552.00; 2552.00]
Inp	2552.00		NIST
Inp	2552.00		NIST
Tboil	894.15	K	Joback Calculated Property
Tc	1114.64	K	Joback Calculated Property
Tfus	545.18	K	Joback Calculated Property
Vc	1.018	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[815.29; 873.47]	J/mol×K	[894.15; 1114.64]
Cp,gas	815.29	J/mol×K	894.15	Joback Calculated Property
Cp,gas	828.32	J/mol×K	930.90	Joback Calculated Property
Cp,gas	839.99	J/mol×K	967.65	Joback Calculated Property
Cp,gas	850.33	J/mol×K	1004.39	Joback Calculated Property
Cp,gas	859.35	J/mol×K	1041.14	Joback Calculated Property
Cp,gas	867.06	J/mol×K	1077.89	Joback Calculated Property
Cp,gas	873.47	J/mol×K	1114.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-fluorophenyl 2-isopropoxyphenyl ester.

Sources

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

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