Chemical Properties of Glutaric acid, 2-(cyclohexyl)ethyl but-3-yn-2-yl ester

InChI

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

InChI Key

VYVWKMLYXZCBAS-UHFFFAOYSA-N

Formula

C17H26O4

SMILES

C#CC(C)OC(=O)CCCC(=O)OCCC1CCCCC1

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°	-130.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-542.87	kJ/mol	Joback Calculated Property
ΔfusH°	36.65	kJ/mol	Joback Calculated Property
ΔvapH°	71.65	kJ/mol	Joback Calculated Property
log10WS	-4.22		Crippen Calculated Property
logPoct/wat	3.235		Crippen Calculated Property
McVol	245.810	ml/mol	McGowan Calculated Property
Pc	1740.46	kPa	Joback Calculated Property
Inp	[2005.00; 2005.00]
Inp	2005.00		NIST
Inp	2005.00		NIST
Tboil	750.17	K	Joback Calculated Property
Tc	956.79	K	Joback Calculated Property
Tfus	465.02	K	Joback Calculated Property
Vc	0.924	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[735.01; 825.55]	J/mol×K	[750.17; 956.79]
Cp,gas	735.01	J/mol×K	750.17	Joback Calculated Property
Cp,gas	753.03	J/mol×K	784.61	Joback Calculated Property
Cp,gas	769.86	J/mol×K	819.04	Joback Calculated Property
Cp,gas	785.50	J/mol×K	853.48	Joback Calculated Property
Cp,gas	799.98	J/mol×K	887.92	Joback Calculated Property
Cp,gas	813.32	J/mol×K	922.36	Joback Calculated Property
Cp,gas	825.55	J/mol×K	956.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-(cyclohexyl)ethyl but-3-yn-2-yl ester.

Sources

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

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