Chemical Properties of Isonopinone

InChI

InChI=1S/C9H14O/c1-9(2)6-3-7(9)5-8(10)4-6/h6-7H,3-5H2,1-2H3

InChI Key

YMCXBJXUNDYDTO-UHFFFAOYSA-N

Formula

C9H14O

SMILES

CC1(C)C2CC(=O)CC1C2

Molecular Weight¹

138.21

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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 : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[278.51; 368.63]	J/mol×K	[486.46; 713.39]
Cp,gas	278.51	J/mol×K	486.46	Joback Calculated Property
Cp,gas	296.15	J/mol×K	524.28	Joback Calculated Property
Cp,gas	312.56	J/mol×K	562.10	Joback Calculated Property
Cp,gas	327.88	J/mol×K	599.93	Joback Calculated Property
Cp,gas	342.24	J/mol×K	637.75	Joback Calculated Property
Cp,gas	355.78	J/mol×K	675.57	Joback Calculated Property
Cp,gas	368.63	J/mol×K	713.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isonopinone.

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.
These property values are available through the Cheméo API. A free account gives you an access key.