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

• 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).
• 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
ΔfG°	-69.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-599.55	kJ/mol	Joback Calculated Property
ΔfusH°	42.16	kJ/mol	Joback Calculated Property
ΔvapH°	80.66	kJ/mol	Joback Calculated Property
log10WS	-5.73		Crippen 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	836.26	K	Joback Calculated Property
Tc	1036.82	K	Joback Calculated Property
Tfus	501.13	K	Joback Calculated Property
Vc	1.179	m3/kmol	Joback 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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.