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

InChI

InChI=1S/C24H40O4/c1-7-10-13-21(9-3)18-27-23(25)14-11-15-24(26)28-22(17-16-19(4)5)20(6)12-8-2/h20-22H,4,7-15,18H2,1-3,5-6H3

InChI Key

TYHBDRKGLMFQSE-UHFFFAOYSA-N

Formula

C24H40O4

SMILES

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

Molecular Weight¹

392.57

• 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°	-41.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-656.19	kJ/mol	Joback Calculated Property
ΔfusH°	53.45	kJ/mol	Joback Calculated Property
ΔvapH°	87.73	kJ/mol	Joback Calculated Property
log10WS	-6.87		Crippen Calculated Property
logPoct/wat	5.844		Crippen Calculated Property
McVol	351.000	ml/mol	McGowan Calculated Property
Pc	977.17	kPa	Joback Calculated Property
Inp	[2398.00; 2398.00]
Inp	2398.00		NIST
Inp	2398.00		NIST
Tboil	905.34	K	Joback Calculated Property
Tc	1110.27	K	Joback Calculated Property
Tfus	549.94	K	Joback Calculated Property
Vc	1.353	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1136.81; 1227.50]	J/mol×K	[905.34; 1110.27]
Cp,gas	1136.81	J/mol×K	905.34	Joback Calculated Property
Cp,gas	1155.08	J/mol×K	939.50	Joback Calculated Property
Cp,gas	1172.05	J/mol×K	973.65	Joback Calculated Property
Cp,gas	1187.74	J/mol×K	1007.81	Joback Calculated Property
Cp,gas	1202.19	J/mol×K	1041.96	Joback Calculated Property
Cp,gas	1215.43	J/mol×K	1076.12	Joback Calculated Property
Cp,gas	1227.50	J/mol×K	1110.27	Joback Calculated Property

Similar Compounds

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

Sources

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

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