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

InChI

InChI=1S/C17H26O4/c1-5-7-8-9-11-15(4)21-17(19)13-10-12-16(18)20-14(3)6-2/h2,9,11,14-15H,5,7-8,10,12-13H2,1,3-4H3/b11-9+

InChI Key

ZKOPAMBUVNBPHW-PKNBQFBNSA-N

Formula

C17H26O4

SMILES

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

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°	-77.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-485.25	kJ/mol	Joback Calculated Property
ΔfusH°	41.49	kJ/mol	Joback Calculated Property
ΔvapH°	70.79	kJ/mol	Joback Calculated Property
log10WS	-4.54		Crippen Calculated Property
logPoct/wat	3.400		Crippen Calculated Property
McVol	252.370	ml/mol	McGowan Calculated Property
Pc	1547.57	kPa	Joback Calculated Property
Inp	[1868.00; 1868.00]
Inp	1868.00		NIST
Inp	1868.00		NIST
Tboil	734.34	K	Joback Calculated Property
Tc	925.89	K	Joback Calculated Property
Tfus	437.56	K	Joback Calculated Property
Vc	0.966	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[716.97; 799.79]	J/mol×K	[734.34; 925.89]
Cp,gas	716.97	J/mol×K	734.34	Joback Calculated Property
Cp,gas	732.90	J/mol×K	766.26	Joback Calculated Property
Cp,gas	747.94	J/mol×K	798.19	Joback Calculated Property
Cp,gas	762.13	J/mol×K	830.11	Joback Calculated Property
Cp,gas	775.48	J/mol×K	862.04	Joback Calculated Property
Cp,gas	788.03	J/mol×K	893.96	Joback Calculated Property
Cp,gas	799.79	J/mol×K	925.89	Joback Calculated Property

Similar Compounds

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

Sources

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

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