Chemical Properties of Glutaric acid, 3-methylbut-2-yl non-5-yn-3-yl ester

InChI

InChI=1S/C19H32O4/c1-6-8-9-10-12-17(7-2)23-19(21)14-11-13-18(20)22-16(5)15(3)4/h15-17H,6-8,11-14H2,1-5H3

InChI Key

AXDIBNRXVKBTRY-UHFFFAOYSA-N

Formula

C19H32O4

SMILES

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

Molecular Weight¹

324.45

• 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°	-163.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-668.63	kJ/mol	Joback Calculated Property
ΔfusH°	43.09	kJ/mol	Joback Calculated Property
ΔvapH°	77.19	kJ/mol	Joback Calculated Property
log10WS	-5.28		Crippen Calculated Property
logPoct/wat	4.260		Crippen Calculated Property
McVol	284.850	ml/mol	McGowan Calculated Property
Pc	1307.06	kPa	Joback Calculated Property
Inp	[2060.00; 2060.00]
Inp	2060.00		NIST
Inp	2060.00		NIST
Tboil	794.38	K	Joback Calculated Property
Tc	989.09	K	Joback Calculated Property
Tfus	509.31	K	Joback Calculated Property
Vc	1.091	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[861.96; 951.18]	J/mol×K	[794.38; 989.09]
Cp,gas	861.96	J/mol×K	794.38	Joback Calculated Property
Cp,gas	879.45	J/mol×K	826.83	Joback Calculated Property
Cp,gas	895.88	J/mol×K	859.28	Joback Calculated Property
Cp,gas	911.26	J/mol×K	891.74	Joback Calculated Property
Cp,gas	925.59	J/mol×K	924.19	Joback Calculated Property
Cp,gas	938.89	J/mol×K	956.64	Joback Calculated Property
Cp,gas	951.18	J/mol×K	989.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-yl non-5-yn-3-yl ester.

Sources

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

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