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

InChI

InChI=1S/C21H34O4/c1-8-10-17(6)19(14-13-15(2)3)25-21(23)12-9-11-20(22)24-18(7)16(4)5/h16-19H,2,8-12H2,1,3-7H3

InChI Key

RXPZONYCZAXTJI-UHFFFAOYSA-N

Formula

C21H34O4

SMILES

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

Molecular Weight¹

350.49

• 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	0.7663		Relay (... Calculated Property
ΔfG°	-69.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-729.93	kJ/mol	Relay (... Calculated Property
ΔfusH°	42.16	kJ/mol	Joback Calculated Property
ΔvapH°	89.78	kJ/mol	Relay (... Calculated Property
IE	8.72	eV	Relay (... Calculated Property
log10WS	-4.45		Relay (... Calculated Property
logPoct/wat	4.672		Crippen Calculated Property
McVol	308.730	ml/mol	McGowan Calculated Property
Pc	1186.60	kPa	Joback Calculated Property
Inp	[2098.00; 2098.00]
Inp	2098.00		NIST
Inp	2098.00		NIST
Tboil	590.03	K	Relay (... Calculated Property
Tc	773.09	K	Relay (... Calculated Property
Tfus	277.15	K	Relay (... Calculated Property
Vc	1.101	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[954.09; 1043.43]	J/mol×K	[836.26; 1036.82]
Cp,gas	954.09	J/mol×K	836.26	Joback Calculated Property
Cp,gas	971.84	J/mol×K	869.69	Joback Calculated Property
Cp,gas	988.41	J/mol×K	903.11	Joback Calculated Property
Cp,gas	1003.83	J/mol×K	936.54	Joback Calculated Property
Cp,gas	1018.12	J/mol×K	969.96	Joback Calculated Property
Cp,gas	1031.31	J/mol×K	1003.39	Joback Calculated Property
Cp,gas	1043.43	J/mol×K	1036.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-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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