Chemical Properties of «DELTA»8-Tetrahydrocannabinol (CAS 5957-75-5)

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/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3

InChI Key

HCAWPGARWVBULJ-UHFFFAOYSA-N

Formula

C21H30O2

SMILES

CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21

Molecular Weight¹

314.46

CAS

5957-75-5

Other Names

• 6H-Dibenzo[b,d]pyran-1-ol, 6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR-trans)-
• 6H-Dibenzo[b,d]pyran-1-ol, 6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, trans-(-)-
• «DELTA»6-THC
• «DELTA»1(6)-trans-Tetrahydrocannabinol
• «DELTA»1(6)-Tetrahydrocannabinol
• «DELTA»6-Tetrahydrocannabinol
• «DELTA»8-trans-Tetrahydrocannabinol
• (-)-«DELTA»6-Tetrahydrocannabinol
• (-)-«DELTA»8-trans-Tetrahydrocannabinol
• (-)-«DELTA»8-Tetrahydrocannabinol
• Cannabinol, «DELTA»1(6)-tetrahydro-
• «DELTA»8-THC
• Cannabinol, 1-trans-«DELTA»8-tetrahydro-
• 1-trans-«DELTA»8-Tetrahydrocannabinol
• 6H-Dibenzo(b,d)pyran-1-ol, 6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR,10aR)-
• (-)-«DELTA»6-3,4-trans-Tetrahydrocannabinol
• (-)-trans-«DELTA»8-Tetrahydrocannabinol
• «DELTA»8-l-Tetrahydrocannabinol
• trans-«DELTA»8-Tetrahydrocannabinol
• l-«DELTA»8-Tetrahydrocannabinol
• 8-Tetrahydrocannabinol
• NSC 134453
• «delta»-(sup6)-THC
• «delta»-(sup8)-THC
• (-)-«delta»-(sup8)-trans-Tetrahydrocannabinol
• Cannabinol, 1-trans-«delta»-(sup8)-tetrahydro-
• 1-trans-«delta»-(sup8)-Tetrahydrocannabinol
• 6H-Dibenzo(b,d)pyran-1-ol, 6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-
• 6,6,9-Trimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[878.15; 1005.62]	J/mol×K	[845.82; 1074.44]
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

Find more compounds similar to «DELTA»8-Tetrahydrocannabinol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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