Chemical Properties of 6-Methyl ionone

InChI

InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3

InChI Key

JZQOJFLIJNRDHK-CMDGGOBGSA-N

Formula

C14H22O

SMILES

CC(=O)/C=C/C1C(C)=CCC(C)C1(C)C

Molecular Weight¹

206.33

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[247.96; 671.42]	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			-9.83000e+01
Coefficient B			1.57140e+00
Coefficient C			-1.22594e-03
Coefficient D			4.24260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	247.96	J/mol×K	273.00	Calculated Property
Cp,gas	322.97	J/mol×K	353.78	Calculated Property
Cp,gas	387.87	J/mol×K	434.56	Calculated Property
Cp,gas	443.99	J/mol×K	515.33	Calculated Property
Cp,gas	492.66	J/mol×K	596.11	Calculated Property
Cp,gas	535.24	J/mol×K	676.89	Calculated Property
Cp,gas	573.07	J/mol×K	757.67	Calculated Property
Cp,gas	607.48	J/mol×K	838.44	Calculated Property
Cp,gas	639.81	J/mol×K	919.22	Calculated Property
Cp,gas	671.42	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 6-Methyl ionone.

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.
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