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

InChI

InChI=1S/C16H26O2/c1-8-9-13(4)14(11-10-12(2)3)18-15(17)16(5,6)7/h13-14H,2,8-9H2,1,3-7H3

InChI Key

DDZBSMWOQSKQFI-UHFFFAOYSA-N

Formula

C16H26O2

SMILES

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

Molecular Weight¹

250.38

• 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°	129.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-249.74	kJ/mol	Joback Calculated Property
ΔfusH°	26.05	kJ/mol	Joback Calculated Property
ΔvapH°	59.86	kJ/mol	Joback Calculated Property
log10WS	-4.66		Crippen Calculated Property
logPoct/wat	3.960		Crippen Calculated Property
McVol	230.840	ml/mol	McGowan Calculated Property
Pc	1644.42	kPa	Joback Calculated Property
Inp	[1438.00; 1438.00]
Inp	1438.00		NIST
Inp	1438.00		NIST
Tboil	643.22	K	Joback Calculated Property
Tc	846.59	K	Joback Calculated Property
Tfus	405.04	K	Joback Calculated Property
Vc	0.876	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[615.47; 712.18]	J/mol×K	[643.22; 846.59]
Cp,gas	615.47	J/mol×K	643.22	Joback Calculated Property
Cp,gas	634.05	J/mol×K	677.11	Joback Calculated Property
Cp,gas	651.59	J/mol×K	711.01	Joback Calculated Property
Cp,gas	668.12	J/mol×K	744.90	Joback Calculated Property
Cp,gas	683.71	J/mol×K	778.80	Joback Calculated Property
Cp,gas	698.38	J/mol×K	812.69	Joback Calculated Property
Cp,gas	712.18	J/mol×K	846.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2-Dimethylpropanoic 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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