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

InChI

InChI=1S/C15H24O4/c1-5-12(4)19-15(17)10-8-9-14(16)18-11-13(6-2)7-3/h1,12-13H,6-11H2,2-4H3

InChI Key

XFBMXLAMCCIOJR-UHFFFAOYSA-N

Formula

C15H24O4

SMILES

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

Molecular Weight¹

268.35

• 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°	-174.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-561.19	kJ/mol	Joback Calculated Property
ΔfusH°	36.11	kJ/mol	Joback Calculated Property
ΔvapH°	66.38	kJ/mol	Joback Calculated Property
log10WS	-3.49		Crippen Calculated Property
logPoct/wat	2.701		Crippen Calculated Property
McVol	228.490	ml/mol	McGowan Calculated Property
Pc	1733.22	kPa	Joback Calculated Property
Inp	[1717.00; 1717.00]
Inp	1717.00		NIST
Inp	1717.00		NIST
Tboil	684.42	K	Joback Calculated Property
Tc	872.41	K	Joback Calculated Property
Tfus	420.10	K	Joback Calculated Property
Vc	0.874	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[629.90; 711.75]	J/mol×K	[684.42; 872.41]
Cp,gas	629.90	J/mol×K	684.42	Joback Calculated Property
Cp,gas	645.54	J/mol×K	715.75	Joback Calculated Property
Cp,gas	660.36	J/mol×K	747.08	Joback Calculated Property
Cp,gas	674.38	J/mol×K	778.42	Joback Calculated Property
Cp,gas	687.61	J/mol×K	809.75	Joback Calculated Property
Cp,gas	700.07	J/mol×K	841.08	Joback Calculated Property
Cp,gas	711.75	J/mol×K	872.41	Joback Calculated Property

Similar Compounds

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

Sources

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

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