Chemical Properties of Glutaric acid, but-3-yn-2-yl 2-ethylcyclohexyl ester

InChI

InChI=1S/C17H26O4/c1-4-13(3)20-16(18)11-8-12-17(19)21-15-10-7-6-9-14(15)5-2/h1,13-15H,5-12H2,2-3H3

InChI Key

INOSLNABDALRAS-UHFFFAOYSA-N

Formula

C17H26O4

SMILES

C#CC(C)OC(=O)CCCC(=O)OC1CCCCC1CC

Molecular Weight¹

294.39

• 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°	-138.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-563.21	kJ/mol	Joback Calculated Property
ΔfusH°	37.72	kJ/mol	Joback Calculated Property
ΔvapH°	71.34	kJ/mol	Joback Calculated Property
log10WS	-4.34		Crippen Calculated Property
logPoct/wat	3.234		Crippen Calculated Property
McVol	245.810	ml/mol	McGowan Calculated Property
Pc	1693.51	kPa	Joback Calculated Property
Inp	[1921.00; 1921.00]
Inp	1921.00		NIST
Inp	1921.00		NIST
Tboil	745.50	K	Joback Calculated Property
Tc	951.99	K	Joback Calculated Property
Tfus	460.78	K	Joback Calculated Property
Vc	0.923	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[737.77; 830.52]	J/mol×K	[745.50; 951.99]
Cp,gas	737.77	J/mol×K	745.50	Joback Calculated Property
Cp,gas	756.25	J/mol×K	779.91	Joback Calculated Property
Cp,gas	773.51	J/mol×K	814.33	Joback Calculated Property
Cp,gas	789.54	J/mol×K	848.74	Joback Calculated Property
Cp,gas	804.38	J/mol×K	883.16	Joback Calculated Property
Cp,gas	818.03	J/mol×K	917.57	Joback Calculated Property
Cp,gas	830.52	J/mol×K	951.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-yn-2-yl 2-ethylcyclohexyl ester.

Sources

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

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