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

InChI

InChI=1S/C16H24O2/c1-7-8-14(6)15(10-9-12(2)3)18-16(17)11-13(4)5/h11,14-15H,2,7-8H2,1,3-6H3

InChI Key

IMLTUEABADLIIT-UHFFFAOYSA-N

Formula

C16H24O2

SMILES

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

Molecular Weight¹

248.36

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.5226		Relay (... Calculated Property
ΔfG°	198.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-227.83	kJ/mol	Relay (... Calculated Property
ΔfusH°	32.36	kJ/mol	Joback Calculated Property
ΔvapH°	76.07	kJ/mol	Relay (... Calculated Property
IE	8.60	eV	Relay (... Calculated Property
log10WS	-4.54		Relay (... Calculated Property
logPoct/wat	3.880		Crippen Calculated Property
McVol	226.540	ml/mol	McGowan Calculated Property
Pc	1696.30	kPa	Joback Calculated Property
Inp	[1592.00; 1592.00]
Inp	1592.00		NIST
Inp	1592.00		NIST
Tboil	519.93	K	Relay (... Calculated Property
Tc	723.41	K	Relay (... Calculated Property
Tfus	270.19	K	Relay (... Calculated Property
Vc	0.778	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[591.26; 683.64]	J/mol×K	[650.49; 854.13]
Cp,gas	591.26	J/mol×K	650.49	Joback Calculated Property
Cp,gas	608.89	J/mol×K	684.43	Joback Calculated Property
Cp,gas	625.58	J/mol×K	718.37	Joback Calculated Property
Cp,gas	641.36	J/mol×K	752.31	Joback Calculated Property
Cp,gas	656.28	J/mol×K	786.25	Joback Calculated Property
Cp,gas	670.36	J/mol×K	820.19	Joback Calculated Property
Cp,gas	683.64	J/mol×K	854.13	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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