Chemical Properties of Nabilone (CAS 51022-71-0)

InChI

InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3

InChI Key

GECBBEABIDMGGL-UHFFFAOYSA-N

Formula

C24H36O3

SMILES

CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(=O)CC21

Molecular Weight¹

372.54

CAS

51022-71-0

Other Names

• (.+/-.)-3-(1,1-Dimethylheptyl-6,6a«beta»,7,8,10,10a«alpha»-hexahydro-1-hydroxy-6,6-dimethyl-9H-dibenzo[b,d]pyran-9-one
• 3-(1,1-Dimethylheptyl)-1-hydroxy-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-one
• 9H-Dibenzo(b,d)pyran-9-one, 3-(1,1-dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-, trans-(.+/-.)-
• Cesamet
• Compd. 109514
• LILLY 109514
• LY-109514

• 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°	43.88	kJ/mol	Joback Calculated Property
logPoct/wat	6.264		Crippen Calculated Property
McVol	316.850	ml/mol	McGowan Calculated Property
Inp	[2945.60; 2945.60]
Inp	2945.60		NIST
Inp	2945.60		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	[1137.03; 1295.00]	J/mol×K	[975.11; 1213.94]
Cp,gas	1137.03	J/mol×K	975.11	Joback Calculated Property
Cp,gas	1161.74	J/mol×K	1014.92	Joback Calculated Property
Cp,gas	1186.73	J/mol×K	1054.72	Joback Calculated Property
Cp,gas	1212.27	J/mol×K	1094.53	Joback Calculated Property
Cp,gas	1238.64	J/mol×K	1134.33	Joback Calculated Property
Cp,gas	1266.13	J/mol×K	1174.14	Joback Calculated Property
Cp,gas	1295.00	J/mol×K	1213.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Nabilone.

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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