Chemical Properties of Glutaric acid, but-3-yn-2-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester

InChI

InChI=1S/C20H28O4/c1-7-10-16(5)18(14-13-15(3)4)24-20(22)12-9-11-19(21)23-17(6)8-2/h2,16-18H,3,7,9-12H2,1,4-6H3

InChI Key

QKHWMNGXRVWZDU-UHFFFAOYSA-N

Formula

C20H28O4

SMILES

C#CC(C)OC(=O)CCCC(=O)OC(C#CC(=C)C)C(C)CCC

Molecular Weight¹

332.43

• 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	0.6778		Relay (... Calculated Property
ΔfG°	147.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-479.94	kJ/mol	Relay (... Calculated Property
ΔfusH°	46.07	kJ/mol	Joback Calculated Property
ΔvapH°	90.77	kJ/mol	Relay (... Calculated Property
IE	9.00	eV	Relay (... Calculated Property
log10WS	-4.15		Relay (... Calculated Property
logPoct/wat	3.649		Crippen Calculated Property
McVol	286.040	ml/mol	McGowan Calculated Property
Pc	1405.90	kPa	Joback Calculated Property
Inp	[2015.00; 2015.00]
Inp	2015.00		NIST
Inp	2015.00		NIST
Tboil	582.42	K	Relay (... Calculated Property
Tc	768.94	K	Relay (... Calculated Property
Tfus	300.03	K	Relay (... Calculated Property
Vc	0.987	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[839.02; 923.11]	J/mol×K	[803.94; 1008.84]
Cp,gas	839.02	J/mol×K	803.94	Joback Calculated Property
Cp,gas	855.60	J/mol×K	838.09	Joback Calculated Property
Cp,gas	871.12	J/mol×K	872.24	Joback Calculated Property
Cp,gas	885.61	J/mol×K	906.39	Joback Calculated Property
Cp,gas	899.08	J/mol×K	940.54	Joback Calculated Property
Cp,gas	911.57	J/mol×K	974.69	Joback Calculated Property
Cp,gas	923.11	J/mol×K	1008.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-yn-2-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Sources

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

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