Chemical Properties of Tropinone (CAS 532-24-1)

InChI

InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3

InChI Key

QQXLDOJGLXJCSE-UHFFFAOYSA-N

Formula

C8H13NO

SMILES

CN1C2CCC1CC(=O)C2

Molecular Weight¹

139.19

CAS

532-24-1

Other Names

• 8-Azabicyclo[3.2.1]octan-3-one, 8-methyl-
• 1«alpha»H,5«alpha»H-Tropan-3-one
• Tropanon
• Tropanone
• Tropinon
• 3-Tropanone
• 3-Tropinone
• Tropionone
• 8-Methyl-8-azabicyclo[3.2.1]octan-3-one
• 1Ah,5ah-tropan-3-one
• N-Methyl-8-azabicyclo[3.2.1]octan-3-one
• NSC 118012
• 1alphaH,5alphaH-Tropan-3-one

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-149.66	kJ/mol	Relay (1.0) Calculated Property
IE	8.64	eV	NIST
logPoct/wat	0.812		Crippen Calculated Property
McVol	113.410	ml/mol	McGowan Calculated Property
Inp	[1150.00; 1201.80]
Inp	1201.80		NIST
Inp	1150.00		NIST
Inp	1196.00		NIST
Inp	1201.80		NIST
Inp	1198.00		NIST
Inp	1153.00		NIST
Inp	1196.00		NIST
Tboil	486.48	K	Relay (1.0) Calculated Property

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, 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.

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Tropinone.

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
• 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.