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

InChI

InChI=1S/C17H28O4/c1-5-8-10-15(7-3)13-20-16(18)11-9-12-17(19)21-14(4)6-2/h2,14-15H,5,7-13H2,1,3-4H3

InChI Key

QYAZGJUKHDBYFA-UHFFFAOYSA-N

Formula

C17H28O4

SMILES

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

Molecular Weight¹

296.41

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-772.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.45	kJ/mol	Joback Calculated Property
ΔvapH°	85.90	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.96		Relay (1.0) Calculated Property
logPoct/wat	3.481		Crippen Calculated Property
McVol	256.670	ml/mol	McGowan Calculated Property
Pc	1396.46	kPa	Joback Calculated Property
Inp	[1870.00; 1870.00]
Inp	1870.00		NIST
Inp	1870.00		NIST
Tboil	580.48	K	Relay (1.0) Calculated Property
Tc	750.45	K	Relay (1.0) Calculated Property
Tfus	257.96	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[726.82; 814.16]	J/mol×K	[694.24; 875.80]
Cp,gas	726.82	J/mol×K	694.24	Joback Calculated Property
Cp,gas	743.66	J/mol×K	724.50	Joback Calculated Property
Cp,gas	759.56	J/mol×K	754.76	Joback Calculated Property
Cp,gas	774.55	J/mol×K	785.02	Joback Calculated Property
Cp,gas	788.63	J/mol×K	815.28	Joback Calculated Property
Cp,gas	801.83	J/mol×K	845.54	Joback Calculated Property
Cp,gas	814.16	J/mol×K	875.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-ethylhexyl but-3-yn-2-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.
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