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

InChI

InChI=1S/C27H46O4/c1-6-8-9-10-11-12-13-14-15-22-30-26(28)18-16-19-27(29)31-25(21-20-23(3)4)24(5)17-7-2/h24-25H,3,6-19,22H2,1-2,4-5H3

InChI Key

DDQLKVUTLIDFPQ-UHFFFAOYSA-N

Formula

C27H46O4

SMILES

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

Molecular Weight¹

434.65

• 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	1.0600		Relay (1.0) Calculated Property
ΔfG°	-14.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-836.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.75	kJ/mol	Joback Calculated Property
ΔvapH°	115.09	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-6.57		Relay (1.0) Calculated Property
logPoct/wat	7.158		Crippen Calculated Property
McVol	393.270	ml/mol	McGowan Calculated Property
Pc	818.66	kPa	Joback Calculated Property
Inp	[2834.00; 2834.00]
Inp	2834.00		NIST
Inp	2834.00		NIST
Tboil	652.81	K	Relay (1.0) Calculated Property
Tc	832.35	K	Relay (1.0) Calculated Property
Tfus	283.89	K	Relay (1.0) Calculated Property
Vc	1.435	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1324.88; 1418.06]	J/mol×K	[974.42; 1194.01]
Cp,gas	1324.88	J/mol×K	974.42	Joback Calculated Property
Cp,gas	1344.12	J/mol×K	1011.02	Joback Calculated Property
Cp,gas	1361.81	J/mol×K	1047.62	Joback Calculated Property
Cp,gas	1377.99	J/mol×K	1084.22	Joback Calculated Property
Cp,gas	1392.72	J/mol×K	1120.82	Joback Calculated Property
Cp,gas	1406.06	J/mol×K	1157.41	Joback Calculated Property
Cp,gas	1418.06	J/mol×K	1194.01	Joback Calculated Property

Similar Compounds

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

Sources

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

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