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

InChI

InChI=1S/C20H32O4/c1-4-6-7-8-9-10-11-12-13-17-23-19(21)15-14-16-20(22)24-18(3)5-2/h2,12-13,18H,4,6-11,14-17H2,1,3H3/b13-12+

InChI Key

DNLRHLDDOFFZMN-OUKQBFOZSA-N

Formula

C20H32O4

SMILES

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

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°	-49.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-541.89	kJ/mol	Joback Calculated Property
ΔfusH°	52.78	kJ/mol	Joback Calculated Property
ΔvapH°	77.85	kJ/mol	Joback Calculated Property
log10WS	-5.68		Crippen Calculated Property
logPoct/wat	4.572		Crippen Calculated Property
McVol	294.640	ml/mol	McGowan Calculated Property
Pc	1241.58	kPa	Joback Calculated Property
Inp	[2256.00; 2256.00]
Inp	2256.00		NIST
Inp	2256.00		NIST
Tboil	803.42	K	Joback Calculated Property
Tc	993.44	K	Joback Calculated Property
Tfus	486.37	K	Joback Calculated Property
Vc	1.139	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[888.99; 976.01]	J/mol×K	[803.42; 993.44]
Cp,gas	888.99	J/mol×K	803.42	Joback Calculated Property
Cp,gas	905.78	J/mol×K	835.09	Joback Calculated Property
Cp,gas	921.61	J/mol×K	866.76	Joback Calculated Property
Cp,gas	936.52	J/mol×K	898.43	Joback Calculated Property
Cp,gas	950.53	J/mol×K	930.10	Joback Calculated Property
Cp,gas	963.68	J/mol×K	961.77	Joback Calculated Property
Cp,gas	976.01	J/mol×K	993.44	Joback Calculated Property

Similar Compounds

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

Sources

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

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