Chemical Properties of Acetoxyacetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

InChI

InChI=1S/C15H22O4/c1-6-7-12(4)14(9-8-11(2)3)19-15(17)10-18-13(5)16/h12,14H,2,6-7,10H2,1,3-5H3

InChI Key

PEFAJKNLWUCYSW-UHFFFAOYSA-N

Formula

C15H22O4

SMILES

C=C(C)C#CC(OC(=O)COC(C)=O)C(C)CCC

Molecular Weight¹

266.33

• 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°	-115.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-465.15	kJ/mol	Joback Calculated Property
ΔfusH°	33.67	kJ/mol	Joback Calculated Property
ΔvapH°	68.08	kJ/mol	Joback Calculated Property
log10WS	-3.34		Crippen Calculated Property
logPoct/wat	2.477		Crippen Calculated Property
McVol	224.190	ml/mol	McGowan Calculated Property
Pc	1821.61	kPa	Joback Calculated Property
Inp	[1614.00; 1614.00]
Inp	1614.00		NIST
Inp	1614.00		NIST
Tboil	699.86	K	Joback Calculated Property
Tc	900.95	K	Joback Calculated Property
Tfus	463.51	K	Joback Calculated Property
Vc	0.856	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[609.50; 690.63]	J/mol×K	[699.86; 900.95]
Cp,gas	609.50	J/mol×K	699.86	Joback Calculated Property
Cp,gas	625.19	J/mol×K	733.37	Joback Calculated Property
Cp,gas	640.00	J/mol×K	766.89	Joback Calculated Property
Cp,gas	653.94	J/mol×K	800.40	Joback Calculated Property
Cp,gas	667.02	J/mol×K	833.92	Joback Calculated Property
Cp,gas	679.25	J/mol×K	867.43	Joback Calculated Property
Cp,gas	690.63	J/mol×K	900.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetoxyacetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Sources

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

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