Chemical Properties of Dehydrosabinaketone

InChI

InChI=1S/C9H12O/c1-6(2)9-4-3-8(10)7(9)5-9/h3-4,6-7H,5H2,1-2H3

InChI Key

IBMZINAPWMATGM-UHFFFAOYSA-N

Formula

C9H12O

SMILES

CC(C)C12C=CC(=O)C1C2

Molecular Weight¹

136.19

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	6.25	kJ/mol	Joback Calculated Property
logPoct/wat	1.788		Crippen Calculated Property
McVol	113.220	ml/mol	McGowan Calculated Property
Inp	[1117.00; 1125.00]
Inp	1120.00		NIST
Inp	1125.00		NIST
Inp	1117.00		NIST
Inp	1117.00		NIST
Inp	1120.00		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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[261.88; 338.90]	J/mol×K	[485.58; 711.64]
Cp,gas	261.88	J/mol×K	485.58	Joback Calculated Property
Cp,gas	277.23	J/mol×K	523.26	Joback Calculated Property
Cp,gas	291.37	J/mol×K	560.93	Joback Calculated Property
Cp,gas	304.45	J/mol×K	598.61	Joback Calculated Property
Cp,gas	316.63	J/mol×K	636.29	Joback Calculated Property
Cp,gas	328.06	J/mol×K	673.97	Joback Calculated Property
Cp,gas	338.90	J/mol×K	711.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dehydrosabinaketone.

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.