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

InChI

InChI=1S/C20H32O4/c1-6-8-15-23-19(21)11-9-12-20(22)24-18(14-13-16(3)4)17(5)10-7-2/h17-18H,3,6-12,15H2,1-2,4-5H3

InChI Key

AZWQOELJSPDYSC-UHFFFAOYSA-N

Formula

C20H32O4

SMILES

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

Molecular Weight¹

336.47

• 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°	-73.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-568.35	kJ/mol	Joback Calculated Property
ΔfusH°	46.62	kJ/mol	Joback Calculated Property
ΔvapH°	79.21	kJ/mol	Joback Calculated Property
log10WS	-5.44		Crippen Calculated Property
logPoct/wat	4.428		Crippen Calculated Property
McVol	294.640	ml/mol	McGowan Calculated Property
Pc	1254.81	kPa	Joback Calculated Property
Inp	[2160.00; 2160.00]
Inp	2160.00		NIST
Inp	2160.00		NIST
Tboil	814.26	K	Joback Calculated Property
Tc	1010.65	K	Joback Calculated Property
Tfus	519.86	K	Joback Calculated Property
Vc	1.135	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[893.47; 981.18]	J/mol×K	[814.26; 1010.65]
Cp,gas	893.47	J/mol×K	814.26	Joback Calculated Property
Cp,gas	910.69	J/mol×K	846.99	Joback Calculated Property
Cp,gas	926.85	J/mol×K	879.72	Joback Calculated Property
Cp,gas	941.96	J/mol×K	912.46	Joback Calculated Property
Cp,gas	956.04	J/mol×K	945.19	Joback Calculated Property
Cp,gas	969.10	J/mol×K	977.92	Joback Calculated Property
Cp,gas	981.18	J/mol×K	1010.65	Joback Calculated Property

Similar Compounds

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

Sources

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

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