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

InChI

InChI=1S/C17H28O2/c1-6-8-9-11-17(18)19-16(13-12-14(3)4)15(5)10-7-2/h15-16H,3,6-11H2,1-2,4-5H3

InChI Key

SJABPZWVTDJILC-UHFFFAOYSA-N

Formula

C17H28O2

SMILES

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

Molecular Weight¹

264.40

• 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°	135.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-261.63	kJ/mol	Joback Calculated Property
ΔfusH°	36.06	kJ/mol	Joback Calculated Property
ΔvapH°	63.38	kJ/mol	Joback Calculated Property
log10WS	-5.32		Crippen Calculated Property
logPoct/wat	4.494		Crippen Calculated Property
McVol	244.930	ml/mol	McGowan Calculated Property
Pc	1501.15	kPa	Joback Calculated Property
Inp	[1649.00; 1649.00]
Inp	1649.00		NIST
Inp	1649.00		NIST
Tboil	669.33	K	Joback Calculated Property
Tc	860.81	K	Joback Calculated Property
Tfus	413.89	K	Joback Calculated Property
Vc	0.944	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[667.40; 763.46]	J/mol×K	[669.33; 860.81]
Cp,gas	667.40	J/mol×K	669.33	Joback Calculated Property
Cp,gas	685.61	J/mol×K	701.24	Joback Calculated Property
Cp,gas	702.92	J/mol×K	733.16	Joback Calculated Property
Cp,gas	719.33	J/mol×K	765.07	Joback Calculated Property
Cp,gas	734.87	J/mol×K	796.98	Joback Calculated Property
Cp,gas	749.57	J/mol×K	828.89	Joback Calculated Property
Cp,gas	763.46	J/mol×K	860.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexanoic 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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