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

InChI

InChI=1S/C20H34O4/c1-6-9-10-11-13-17(7-2)23-19(21)14-12-15-20(22)24-18(8-3)16(4)5/h16-18H,6-9,12-15H2,1-5H3

InChI Key

LQBCNBZBTWZEGS-UHFFFAOYSA-N

Formula

C20H34O4

SMILES

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

Molecular Weight¹

338.48

• 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	0.8054		Relay (1.0) Calculated Property
ΔfG°	-154.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-831.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.68	kJ/mol	Joback Calculated Property
ΔvapH°	91.82	kJ/mol	Relay (1.0) Calculated Property
IE	9.07	eV	Relay (1.0) Calculated Property
log10WS	-4.13		Relay (1.0) Calculated Property
logPoct/wat	4.650		Crippen Calculated Property
McVol	298.940	ml/mol	McGowan Calculated Property
Pc	1220.85	kPa	Joback Calculated Property
Inp	[2132.00; 2132.00]
Inp	2132.00		NIST
Inp	2132.00		NIST
Tboil	596.92	K	Relay (1.0) Calculated Property
Tc	779.28	K	Relay (1.0) Calculated Property
Tfus	251.94	K	Relay (1.0) Calculated Property
Vc	1.075	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[921.30; 1011.27]	J/mol×K	[817.26; 1012.46]
Cp,gas	921.30	J/mol×K	817.26	Joback Calculated Property
Cp,gas	939.03	J/mol×K	849.79	Joback Calculated Property
Cp,gas	955.64	J/mol×K	882.33	Joback Calculated Property
Cp,gas	971.16	J/mol×K	914.86	Joback Calculated Property
Cp,gas	985.59	J/mol×K	947.39	Joback Calculated Property
Cp,gas	998.96	J/mol×K	979.93	Joback Calculated Property
Cp,gas	1011.27	J/mol×K	1012.46	Joback Calculated Property

Similar Compounds

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

Sources

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

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