Chemical Properties of 1(6)-Tetrahydrocannabinol

1(6)-Tetrahydrocannabinol

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-/m1/s1
InChI Key
CYQFCXCEBYINGO-ZYMOGRSISA-N
Formula
C21H30O2
SMILES
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Molecular Weight1
314.46
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Physical Properties

Property Value Unit Source
ω 0.7384 Relay (1.0) Calculated Property
ΔfG° 82.78 kJ/mol Joback Calculated Property
ΔfH°gas -379.26 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 44.85 kJ/mol Joback Calculated Property
ΔvapH° 113.00 kJ/mol Relay (1.0) Calculated Property
IE 7.41 eV Relay (1.0) Calculated Property
log10WS -5.72 Relay (1.0) Calculated Property
logPoct/wat 5.736 Crippen Calculated Property
McVol 268.710 ml/mol McGowan Calculated Property
Pc 1665.97 kPa Joback Calculated Property
Inp 2418.00 NIST
Tboil 643.50 K Relay (1.0) Calculated Property
Tc 906.32 K Relay (1.0) Calculated Property
Tfus 381.86 K Relay (1.0) Calculated Property
Vc 0.964 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [878.15; 1005.62] J/mol×K [845.82; 1074.44] Show Hide
Cp,gas 878.15 J/mol×K 845.82 Joback Calculated Property
Cp,gas 899.14 J/mol×K 883.92 Joback Calculated Property
Cp,gas 919.92 J/mol×K 922.03 Joback Calculated Property
Cp,gas 940.71 J/mol×K 960.13 Joback Calculated Property
Cp,gas 961.77 J/mol×K 998.23 Joback Calculated Property
Cp,gas 983.32 J/mol×K 1036.33 Joback Calculated Property
Cp,gas 1005.62 J/mol×K 1074.44 Joback Calculated Property

Similar Compounds

Tetrahydrocannabinol, TMS. Dronabinol. Tetrahydrocannabinol, TFA. 11-Hydroxy-«DELTA»9-tetrahydrocannabinol. «delta»1-tetrahydrocannabinolic acid, n-butyl-boronate. propyl-«delta»1-tetrahydrocannabinolic acid, n-butyl-boronate. propyl-«delta»1-tetrahydrocannabinolic acid, methyl-boronate. «delta»1-tetrahydrocannabinolic acid, methyl-boronate. «DELTA»8-Tetrahydrocannabinol. (-)-11-nor-9-carboxy-.DELTA.9-THC, trimethylsilyl ether, trimethylsilyl ester. «delta»1-tetrahydrocannabinolic acid, phenyl-boronate. 6H-Dibenzo[b,d]pyran, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-1-[(trimethylsilyl)oxy]-, (6aR-trans)-. Propyl-1-tetrahydrocannabinol, TMS. Cannabinol, TMS. Heptyl-1-tetrahydrocannabinol, TMS.

Find more compounds similar to 1(6)-Tetrahydrocannabinol.

Sources

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