Chemical Properties of Glutaric acid, hexa-1,5-dien-3-yl but-3-yn-2-yl ester

InChI

InChI=1S/C15H20O4/c1-5-9-13(7-3)19-15(17)11-8-10-14(16)18-12(4)6-2/h2,5,7,12-13H,1,3,8-11H2,4H3

InChI Key

QFTDXNRUEZIIPI-UHFFFAOYSA-N

Formula

C15H20O4

SMILES

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

Molecular Weight¹

264.32

• 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°	1.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-310.33	kJ/mol	Joback Calculated Property
ΔfusH°	33.55	kJ/mol	Joback Calculated Property
ΔvapH°	65.04	kJ/mol	Joback Calculated Property
log10WS	-3.55		Crippen Calculated Property
logPoct/wat	2.395		Crippen Calculated Property
McVol	219.890	ml/mol	McGowan Calculated Property
Pc	1861.11	kPa	Joback Calculated Property
Inp	[1640.00; 1640.00]
Inp	1640.00		NIST
Inp	1640.00		NIST
Tboil	677.78	K	Joback Calculated Property
Tc	871.32	K	Joback Calculated Property
Tfus	416.58	K	Joback Calculated Property
Vc	0.836	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[583.16; 658.74]	J/mol×K	[677.78; 871.32]
Cp,gas	583.16	J/mol×K	677.78	Joback Calculated Property
Cp,gas	597.70	J/mol×K	710.04	Joback Calculated Property
Cp,gas	611.44	J/mol×K	742.29	Joback Calculated Property
Cp,gas	624.39	J/mol×K	774.55	Joback Calculated Property
Cp,gas	636.58	J/mol×K	806.81	Joback Calculated Property
Cp,gas	648.02	J/mol×K	839.06	Joback Calculated Property
Cp,gas	658.74	J/mol×K	871.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hexa-1,5-dien-3-yl but-3-yn-2-yl ester.

Sources

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

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