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

InChI

InChI=1S/C22H36O4/c1-7-10-19(6)20(15-14-18(4)5)26-22(24)13-8-12-21(23)25-16-9-11-17(2)3/h17,19-20H,4,7-13,16H2,1-3,5-6H3

InChI Key

CENUYXVVEASSHW-UHFFFAOYSA-N

Formula

C22H36O4

SMILES

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

Molecular Weight¹

364.52

• 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	0.8446		Relay (... Calculated Property
ΔfG°	-58.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-748.47	kJ/mol	Relay (... Calculated Property
ΔfusH°	48.27	kJ/mol	Joback Calculated Property
ΔvapH°	94.32	kJ/mol	Relay (... Calculated Property
IE	8.75	eV	Relay (... Calculated Property
log10WS	-4.94		Relay (... Calculated Property
logPoct/wat	5.064		Crippen Calculated Property
McVol	322.820	ml/mol	McGowan Calculated Property
Pc	1105.94	kPa	Joback Calculated Property
Inp	[2318.00; 2318.00]
Inp	2318.00		NIST
Inp	2318.00		NIST
Tboil	611.37	K	Relay (... Calculated Property
Tc	786.26	K	Relay (... Calculated Property
Tfus	270.04	K	Relay (... Calculated Property
Vc	1.157	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1013.99; 1103.53]	J/mol×K	[859.58; 1059.66]
Cp,gas	1013.99	J/mol×K	859.58	Joback Calculated Property
Cp,gas	1031.80	J/mol×K	892.93	Joback Calculated Property
Cp,gas	1048.42	J/mol×K	926.27	Joback Calculated Property
Cp,gas	1063.88	J/mol×K	959.62	Joback Calculated Property
Cp,gas	1078.20	J/mol×K	992.97	Joback Calculated Property
Cp,gas	1091.41	J/mol×K	1026.32	Joback Calculated Property
Cp,gas	1103.53	J/mol×K	1059.66	Joback Calculated Property

Similar Compounds

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

Sources

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

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