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

Nabilone

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

Property Value Unit Source
Δf -32.04 kJ/mol Joback Calculated Property
Δfgas -652.68 kJ/mol Joback Calculated Property
Δfus 43.88 kJ/mol Joback Calculated Property
Δvap 91.80 kJ/mol Joback Calculated Property
log10WS -6.76 Crippen Calculated Property
logPoct/wat 6.264 Crippen Calculated Property
McVol 316.850 ml/mol McGowan Calculated Property
Pc 1366.68 kPa Joback Calculated Property
Inp [2945.60; 2945.60]   Show Hide
Inp 2945.60 NIST
Inp 2945.60 NIST
Tboil 974.91 K Joback Calculated Property
Tc 1213.70 K Joback Calculated Property
Tfus 669.13 K Joback Calculated Property
Vc 1.149 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1136.90; 1294.82] J/mol×K [974.91; 1213.70] Show Hide
Cp,gas 1136.90 J/mol×K 974.91 Joback Calculated Property
Cp,gas 1161.61 J/mol×K 1014.71 Joback Calculated Property
Cp,gas 1186.60 J/mol×K 1054.51 Joback Calculated Property
Cp,gas 1212.13 J/mol×K 1094.30 Joback Calculated Property
Cp,gas 1238.49 J/mol×K 1134.10 Joback Calculated Property
Cp,gas 1265.96 J/mol×K 1173.90 Joback Calculated Property
Cp,gas 1294.82 J/mol×K 1213.70 Joback Calculated Property

Similar Compounds

Hexahydrocannabinol. Nabilone, trimethylsilyl ether. exo-THC. Nabilone, tert-butyldimethylsilyl ether. «DELTA»8-Tetrahydrocannabinol. 12-O-Methylcarnosol. ethyl eburnamenine-14-carboxylate. Hydromorphone. Dihydromorphine. 5,6-Dihydrouracil riboside, TMS. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. Dihydromorphinone acetate. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Hydrocodone. Acetyldihydrocodeine.

Find more compounds similar to Nabilone.

Sources

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