Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl non-5-yn-3-yl ester

InChI

InChI=1S/C20H24ClFO4/c1-3-5-6-7-10-15(4-2)25-18(23)13-9-14-19(24)26-20-16(21)11-8-12-17(20)22/h8,11-12,15H,3-5,9-10,13-14H2,1-2H3

InChI Key

MOKWDUDXVLGGRL-UHFFFAOYSA-N

Formula

C20H24ClFO4

SMILES

CCCC#CCC(CC)OC(=O)CCCC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

382.85

• 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	0.8436		Relay (1.0) Calculated Property
ΔfG°	-263.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-758.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.27	kJ/mol	Joback Calculated Property
ΔvapH°	103.32	kJ/mol	Relay (1.0) Calculated Property
IE	8.55	eV	Relay (1.0) Calculated Property
log10WS	-5.33		Relay (1.0) Calculated Property
logPoct/wat	5.070		Crippen Calculated Property
McVol	289.190	ml/mol	McGowan Calculated Property
Pc	1414.37	kPa	Joback Calculated Property
Inp	[2513.00; 2513.00]
Inp	2513.00		NIST
Inp	2513.00		NIST
Tboil	616.94	K	Relay (1.0) Calculated Property
Tc	852.71	K	Relay (1.0) Calculated Property
Tfus	306.34	K	Relay (1.0) Calculated Property
Vc	1.028	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[858.18; 923.41]	J/mol×K	[891.48; 1105.76]
Cp,gas	858.18	J/mol×K	891.48	Joback Calculated Property
Cp,gas	871.93	J/mol×K	927.19	Joback Calculated Property
Cp,gas	884.50	J/mol×K	962.91	Joback Calculated Property
Cp,gas	895.92	J/mol×K	998.62	Joback Calculated Property
Cp,gas	906.19	J/mol×K	1034.33	Joback Calculated Property
Cp,gas	915.35	J/mol×K	1070.04	Joback Calculated Property
Cp,gas	923.41	J/mol×K	1105.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl non-5-yn-3-yl ester.

Sources

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

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