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

InChI

InChI=1S/C27H40O4/c1-9-12-22(7)24(18-16-20(3)4)30-26(28)14-11-15-27(29)31-25(19-17-21(5)6)23(8)13-10-2/h22-25H,3,5,9-15H2,1-2,4,6-8H3

InChI Key

YANURNHVAISHPM-UHFFFAOYSA-N

Formula

C27H40O4

SMILES

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

Molecular Weight¹

428.60

• 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°	263.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-335.45	kJ/mol	Joback Calculated Property
ΔfusH°	58.23	kJ/mol	Joback Calculated Property
ΔvapH°	95.58	kJ/mol	Joback Calculated Property
log10WS	-7.89		Crippen Calculated Property
logPoct/wat	6.012		Crippen Calculated Property
McVol	380.370	ml/mol	McGowan Calculated Property
Pc	934.06	kPa	Joback Calculated Property
Inp	[2607.00; 2607.00]
Inp	2607.00		NIST
Inp	2607.00		NIST
Tboil	979.10	K	Joback Calculated Property
Tc	1200.64	K	Joback Calculated Property
Tfus	659.13	K	Joback Calculated Property
Vc	1.460	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1239.58; 1324.22]	J/mol×K	[979.10; 1200.64]
Cp,gas	1239.58	J/mol×K	979.10	Joback Calculated Property
Cp,gas	1257.09	J/mol×K	1016.02	Joback Calculated Property
Cp,gas	1273.17	J/mol×K	1052.95	Joback Calculated Property
Cp,gas	1287.87	J/mol×K	1089.87	Joback Calculated Property
Cp,gas	1301.24	J/mol×K	1126.79	Joback Calculated Property
Cp,gas	1313.34	J/mol×K	1163.72	Joback Calculated Property
Cp,gas	1324.22	J/mol×K	1200.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(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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