Chemical Properties of Glutaric acid, dec-2-yl 4-fluoro-2-methoxyphenyl ester

InChI

InChI=1S/C22H33FO5/c1-4-5-6-7-8-9-11-17(2)27-21(24)12-10-13-22(25)28-19-15-14-18(23)16-20(19)26-3/h14-17H,4-13H2,1-3H3

InChI Key

ZMLUFKONIAXFQC-UHFFFAOYSA-N

Formula

C22H33FO5

SMILES

CCCCCCCCC(C)OC(=O)CCCC(=O)Oc1ccc(F)cc1OC

Molecular Weight¹

396.49

• 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	1.0743		Relay (... Calculated Property
ΔfG°	-542.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-1218.06	kJ/mol	Relay (... Calculated Property
ΔfusH°	52.32	kJ/mol	Joback Calculated Property
ΔvapH°	107.78	kJ/mol	Relay (... Calculated Property
IE	8.37	eV	Relay (... Calculated Property
log10WS	-5.50		Relay (... Calculated Property
logPoct/wat	5.592		Crippen Calculated Property
McVol	319.600	ml/mol	McGowan Calculated Property
Pc	1117.81	kPa	Joback Calculated Property
Inp	[2598.00; 2598.00]
Inp	2598.00		NIST
Inp	2598.00		NIST
Tboil	650.63	K	Relay (... Calculated Property
Tc	845.23	K	Relay (... Calculated Property
Tfus	319.17	K	Relay (... Calculated Property
Vc	1.193	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1033.89; 1107.67]	J/mol×K	[913.23; 1119.27]
Cp,gas	1033.89	J/mol×K	913.23	Joback Calculated Property
Cp,gas	1049.57	J/mol×K	947.57	Joback Calculated Property
Cp,gas	1063.88	J/mol×K	981.91	Joback Calculated Property
Cp,gas	1076.83	J/mol×K	1016.25	Joback Calculated Property
Cp,gas	1088.44	J/mol×K	1050.59	Joback Calculated Property
Cp,gas	1098.72	J/mol×K	1084.93	Joback Calculated Property
Cp,gas	1107.67	J/mol×K	1119.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, dec-2-yl 4-fluoro-2-methoxyphenyl ester.

Sources

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

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