Chemical Properties of Tetrahydrocannabinol, TMS

Tetrahydrocannabinol, TMS

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InChI
InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m0/s1
InChI Key
CYQFCXCEBYINGO-IRXDYDNUSA-N
Formula
C21H30O2
SMILES
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Molecular Weight1
314.46
Sources

Physical Properties

Property Value Unit Source
Δf 82.78 kJ/mol Joback Calculated Property
Δfgas -398.00 kJ/mol Joback Calculated Property
Δfus 44.85 kJ/mol Joback Calculated Property
Δvap 83.13 kJ/mol Joback Calculated Property
logPoct/wat 5.74 Crippen Calculated Property
Pc 1665.97 kPa Joback Calculated Property
Tboil 845.82 K Joback Calculated Property
Tc 1074.44 K Joback Calculated Property
Tfus 577.96 K Joback Calculated Property
Vc 0.97 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 878.15 J/mol×K 845.82 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
=CH- (ring) 3
=C< (ring) 5
-CH2- 4
>C< (ring) 1
-CH3 4
>CH- (ring) 2
-OH (phenol) 1
-CH2- (ring) 2

Similar Compounds

1(6)-Tetrahydrocannabinol. Dronabinol. 11-Hydroxy-«DELTA»9-tetrahydrocannabinol. Tetrahydrocannabinol, TFA. Propyl-1-tetrahydrocannabinol, TMS. Cannabinol, TMS. Heptyl-1-tetrahydrocannabinol, TMS. 6H-Dibenzo[b,d]pyran, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-1-[(trimethylsilyl)oxy]-, (6aR-trans)-. 1-Tetrahydrocannabinol, TMS. .DELTA.8-tetrahydrocannabinol. Silane, [(3-heptyl-6a,7,8,10a-tetrahydro-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-1-yl)oxy]dimethyl-2-propenyl-, (6aR-trans)-. 1-Tetrahydrocannabinol, allyl-DMS. Silane, dimethyl-2-propenyl[(6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-yl)oxy]-, (6aR-trans)-. Silane, dimethyl-2-propenyl[(6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-propyl-6H-dibenzo[b,d]pyran-1-yl)oxy]-, (6aR-trans)-. 11-nor-D9-Tetrahydrocannabinol-9-carboxylic acid.

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