Chemical Properties of Glutaric acid, (cyclohex-3-enyl)methyl 2-chloro-6-fluorophenyl ester

InChI

InChI=1S/C18H20ClFO4/c19-14-8-4-9-15(20)18(14)24-17(22)11-5-10-16(21)23-12-13-6-2-1-3-7-13/h1-2,4,8-9,13H,3,5-7,10-12H2

InChI Key

BCBOMPUHYDLQCB-UHFFFAOYSA-N

Formula

C18H20ClFO4

SMILES

O=C(CCCC(=O)Oc1c(F)cccc1Cl)OCC1CC=CCC1

Molecular Weight¹

354.80

• 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	0.7791		Relay (1.0) Calculated Property
ΔfG°	-426.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-842.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.55	kJ/mol	Joback Calculated Property
ΔvapH°	104.03	kJ/mol	Relay (1.0) Calculated Property
IE	8.50	eV	Relay (1.0) Calculated Property
log10WS	-4.84		Relay (1.0) Calculated Property
logPoct/wat	4.454		Crippen Calculated Property
McVol	254.450	ml/mol	McGowan Calculated Property
Pc	1744.82	kPa	Joback Calculated Property
Inp	[2532.00; 2532.00]
Inp	2532.00		NIST
Inp	2532.00		NIST
Tboil	641.33	K	Relay (1.0) Calculated Property
Tc	869.92	K	Relay (1.0) Calculated Property
Tfus	320.44	K	Relay (1.0) Calculated Property
Vc	0.906	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[760.24; 824.91]	J/mol×K	[855.87; 1077.34]
Cp,gas	760.24	J/mol×K	855.87	Joback Calculated Property
Cp,gas	774.25	J/mol×K	892.78	Joback Calculated Property
Cp,gas	786.93	J/mol×K	929.69	Joback Calculated Property
Cp,gas	798.31	J/mol×K	966.61	Joback Calculated Property
Cp,gas	808.42	J/mol×K	1003.52	Joback Calculated Property
Cp,gas	817.28	J/mol×K	1040.43	Joback Calculated Property
Cp,gas	824.91	J/mol×K	1077.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, (cyclohex-3-enyl)methyl 2-chloro-6-fluorophenyl ester.

Sources

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

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