Chemical Properties of Cyclohexanone, 5-ethenyl-5-methyl-4-(1-methylethenyl)-2-(1-methylethylidene)-, cis- (CAS 32663-57-3)

InChI

InChI=1S/C15H22O/c1-7-15(6)9-14(16)12(10(2)3)8-13(15)11(4)5/h7,13H,1,4,8-9H2,2-3,5-6H3/t13-,15-/m1/s1

InChI Key

ABLPGPHZENVRRH-UKRRQHHQSA-N

Formula

C15H22O

SMILES

C=CC1(C)CC(=O)C(=C(C)C)CC1C(=C)C

Molecular Weight¹

218.33

CAS

32663-57-3

Other Names

• c-«beta»-Elemenone
• cis-«beta»-Elemenone
• Cyclohexanone, 5-ethenyl-5-methyl-4-(1-methylethenyl)-2-(1-methylethylidene)-, (4R,5S)-rel-
• 4-Isopropenyl-5-methyl-2-(1-methylethylidene)-5-vinylcyclohexanone, cis

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	15.87	kJ/mol	Joback Calculated Property
logPoct/wat	4.070		Crippen Calculated Property
McVol	200.020	ml/mol	McGowan Calculated Property
Inp	[1579.00; 1597.00]
Inp	1579.00		NIST
Inp	1597.00		NIST
Inp	1594.00		NIST
Inp	1592.00		NIST
Inp	1589.00		NIST
Inp	1579.00		NIST
Inp	1589.00		NIST
Ip	2070.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[263.28; 699.84]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-7.82400e+01
Coefficient B			1.53038e+00
Coefficient C			-1.12530e-03
Coefficient D			3.73000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	263.28	J/mol×K	273.00	Calculated Property
Cp,gas	338.85	J/mol×K	353.78	Calculated Property
Cp,gas	404.90	J/mol×K	434.56	Calculated Property
Cp,gas	462.62	J/mol×K	515.33	Calculated Property
Cp,gas	513.17	J/mol×K	596.11	Calculated Property
Cp,gas	557.75	J/mol×K	676.89	Calculated Property
Cp,gas	597.52	J/mol×K	757.67	Calculated Property
Cp,gas	633.68	J/mol×K	838.44	Calculated Property
Cp,gas	667.39	J/mol×K	919.22	Calculated Property
Cp,gas	699.84	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanone, 5-ethenyl-5-methyl-4-(1-methylethenyl)-2-(1-methylethylidene)-, cis-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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