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

• 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	0.7717		Relay (... Calculated Property
ΔfG°	-163.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-812.87	kJ/mol	Relay (... Calculated Property
ΔfusH°	43.09	kJ/mol	Joback Calculated Property
ΔvapH°	88.13	kJ/mol	Relay (... Calculated Property
IE	9.16	eV	Relay (... Calculated Property
log10WS	-3.81		Relay (... 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	580.48	K	Relay (... Calculated Property
Tc	766.94	K	Relay (... Calculated Property
Tfus	255.99	K	Relay (... Calculated Property
Vc	1.030	m3/kmol	Relay (... 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.