Chemical Properties of 2-methyl-4-(2-methylene-6,6-dimethylcyclohexyl)-2-butenal

InChI

InChI=1S/C14H22O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h7,10,13H,2,5-6,8-9H2,1,3-4H3/b11-7+

InChI Key

WVKXAHIZLFMAGH-YRNVUSSQSA-N

Formula

C14H22O

SMILES

C=C1CCCC(C)(C)C1CC=C(C)C=O

Molecular Weight¹

206.32

• 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 : 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	0.3667		Relay (... Calculated Property
ΔfG°	103.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-200.35	kJ/mol	Relay (... Calculated Property
ΔfusH°	18.65	kJ/mol	Joback Calculated Property
ΔvapH°	67.39	kJ/mol	Relay (... Calculated Property
IE	9.33	eV	Relay (... Calculated Property
log10WS	-3.76		Relay (... Calculated Property
logPoct/wat	3.904		Crippen Calculated Property
McVol	190.230	ml/mol	McGowan Calculated Property
Pc	2075.54	kPa	Joback Calculated Property
I	[2024.00; 2024.00]
I	2024.00		NIST
I	2024.00		NIST
Tboil	547.53	K	Relay (... Calculated Property
Tc	763.75	K	Relay (... Calculated Property
Tfus	244.85	K	Relay (... Calculated Property
Vc	0.626	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[487.94; 589.30]	J/mol×K	[586.70; 798.72]
Cp,gas	487.94	J/mol×K	586.70	Joback Calculated Property
Cp,gas	507.16	J/mol×K	622.04	Joback Calculated Property
Cp,gas	525.30	J/mol×K	657.37	Joback Calculated Property
Cp,gas	542.46	J/mol×K	692.71	Joback Calculated Property
Cp,gas	558.77	J/mol×K	728.05	Joback Calculated Property
Cp,gas	574.34	J/mol×K	763.38	Joback Calculated Property
Cp,gas	589.30	J/mol×K	798.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-methyl-4-(2-methylene-6,6-dimethylcyclohexyl)-2-butenal.

Sources

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

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