Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl dodec-9-yn-1-yl ester

InChI

InChI=1S/C22H36O4/c1-4-5-6-7-8-9-10-11-12-13-18-25-21(23)15-14-16-22(24)26-19-17-20(2)3/h17H,4,7-16,18-19H2,1-3H3

InChI Key

ONLPKYXJRHTIOZ-UHFFFAOYSA-N

Formula

C22H36O4

SMILES

CCC#CCCCCCCCCOC(=O)CCCC(=O)OCC=C(C)C

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	0.9177		Relay (1.0) Calculated Property
ΔfG°	-59.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-779.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.32	kJ/mol	Joback Calculated Property
ΔvapH°	102.94	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-5.28		Relay (1.0) Calculated Property
logPoct/wat	5.353		Crippen Calculated Property
McVol	322.820	ml/mol	McGowan Calculated Property
Pc	1095.72	kPa	Joback Calculated Property
Inp	[2617.00; 2617.00]
Inp	2617.00		NIST
Inp	2617.00		NIST
Tboil	630.05	K	Relay (1.0) Calculated Property
Tc	818.76	K	Relay (1.0) Calculated Property
Tfus	290.00	K	Relay (1.0) Calculated Property
Vc	1.182	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1013.93; 1103.62]	J/mol×K	[868.38; 1067.28]
Cp,gas	1013.93	J/mol×K	868.38	Joback Calculated Property
Cp,gas	1031.51	J/mol×K	901.53	Joback Calculated Property
Cp,gas	1048.00	J/mol×K	934.68	Joback Calculated Property
Cp,gas	1063.42	J/mol×K	967.83	Joback Calculated Property
Cp,gas	1077.80	J/mol×K	1000.98	Joback Calculated Property
Cp,gas	1091.20	J/mol×K	1034.13	Joback Calculated Property
Cp,gas	1103.62	J/mol×K	1067.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl dodec-9-yn-1-yl ester.

Sources

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

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