Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl 3-methylbutyl ester

InChI

InChI=1S/C16H20ClFO4/c1-11(2)9-10-21-14(19)7-4-8-15(20)22-16-12(17)5-3-6-13(16)18/h3,5-6,11H,4,7-10H2,1-2H3

InChI Key

VJHMOHZHMOHVJQ-UHFFFAOYSA-N

Formula

C16H20ClFO4

SMILES

CC(C)CCOC(=O)CCCC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

330.78

• 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	0.8264		Relay (1.0) Calculated Property
ΔfG°	-500.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-953.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.79	kJ/mol	Joback Calculated Property
ΔvapH°	91.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
log10WS	-4.68		Relay (1.0) Calculated Property
logPoct/wat	4.144		Crippen Calculated Property
McVol	241.430	ml/mol	McGowan Calculated Property
Pc	1686.56	kPa	Joback Calculated Property
Inp	[2329.00; 2329.00]
Inp	2329.00		NIST
Inp	2329.00		NIST
Tboil	593.54	K	Relay (1.0) Calculated Property
Tc	810.55	K	Relay (1.0) Calculated Property
Tfus	301.21	K	Relay (1.0) Calculated Property
Vc	0.886	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[682.35; 749.58]	J/mol×K	[790.96; 993.83]
Cp,gas	682.35	J/mol×K	790.96	Joback Calculated Property
Cp,gas	695.94	J/mol×K	824.77	Joback Calculated Property
Cp,gas	708.56	J/mol×K	858.58	Joback Calculated Property
Cp,gas	720.22	J/mol×K	892.40	Joback Calculated Property
Cp,gas	730.94	J/mol×K	926.21	Joback Calculated Property
Cp,gas	740.72	J/mol×K	960.02	Joback Calculated Property
Cp,gas	749.58	J/mol×K	993.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl 3-methylbutyl ester.

Sources

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

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