Chemical Properties of Oct-3-enoic acid, 2-methyloct-5-yn-4-yl ester

InChI

InChI=1S/C17H28O2/c1-5-7-9-10-11-13-17(18)19-16(12-8-6-2)14-15(3)4/h10-11,15-16H,5-7,9,13-14H2,1-4H3/b11-10+

InChI Key

OZHZRZKKCYELPL-ZHACJKMWSA-N

Formula

C17H28O2

SMILES

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

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°	136.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-260.05	kJ/mol	Joback Calculated Property
ΔfusH°	38.85	kJ/mol	Joback Calculated Property
ΔvapH°	63.93	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	1506.98	kPa	Joback Calculated Property
Inp	[1735.00; 1735.00]
Inp	1735.00		NIST
Inp	1735.00		NIST
Tboil	676.93	K	Joback Calculated Property
Tc	869.35	K	Joback Calculated Property
Tfus	424.53	K	Joback Calculated Property
Vc	0.942	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[669.36; 764.64]	J/mol×K	[676.93; 869.35]
Cp,gas	669.36	J/mol×K	676.93	Joback Calculated Property
Cp,gas	687.43	J/mol×K	709.00	Joback Calculated Property
Cp,gas	704.58	J/mol×K	741.07	Joback Calculated Property
Cp,gas	720.85	J/mol×K	773.14	Joback Calculated Property
Cp,gas	736.26	J/mol×K	805.21	Joback Calculated Property
Cp,gas	750.85	J/mol×K	837.28	Joback Calculated Property
Cp,gas	764.64	J/mol×K	869.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Oct-3-enoic acid, 2-methyloct-5-yn-4-yl ester.

Sources

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

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