Chemical Properties of Dronabinol (CAS 1972-08-3)

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

InChI Key

CYQFCXCEBYINGO-UHFFFAOYSA-N

Formula

C21H30O2

SMILES

CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Molecular Weight¹

314.46

CAS

1972-08-3

Other Names

• «DELTA»9-Tetrahydrocannabinol
• 6H-Dibenzo[b,d]pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR-trans)-
• «DELTA»1-Tetrahydrocannabinol
• «DELTA»1-THC
• «DELTA»9-trans-Tetrahydrocannabinol
• (-)-«DELTA»1-Tetrahydrocannabinol
• (-)-«DELTA»9-trans-Tetrahydrocannabinol
• (-)-«DELTA»9-Tetrahydrocannabinol
• (-)-«DELTA»9-THC
• (-)-trans-«DELTA»9-Tetrahydrocannabinol
• (l)-«DELTA»1-Tetrahydrocannabinol
• L-«DELTA»1-trans-Tetrahydrocannabinol
• L-trans-«DELTA»9-Tetrahydrocannabinol
• trans-«DELTA»9-Tetrahydrocannabinol, (-)-
• Abbott 40566
• Cannabinol, «DELTA»1-Tetrahydro-
• SP 104
• Tetrahydrocannabinol
• «DELTA»9-THC
• Cannabinol, 1-trans-«DELTA»9-tetrahydro-
• QCD 84924
• 1-trans-«DELTA»9-tetrahydrocannabinol
• 6,6,9-Trimethyl-3-pentyl-7,8,9,10-tetrahydro-6H-dibenzo(b,d)pyran-1-ol
• 6H-Dibenzo(b,d)pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6aR,10aR)-
• 6H-Dibenzo(b,d)pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, trans-
• (6aR,10aR)-6a,7,8,10a-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol
• Marinol
• (-)-trans-«DELTA»1-Tetrahydrocannabinol
• (-)-trans-«DELTA»9-THC
• NSC-134454
• Delta 9-THC
• Delta-9-Tetrahydrocannabinol
• 6H-Dibenzo(b,d)pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-
• trans-«delta»9-Tetrahydrocannabinol
• 14C-«delta»1-Tetrahydrocannabinol
• «delta»(sup9)-Thc
• (-)-«delta»(sup9)-trans-Tetrahydrocannabinol
• Cannabinol, 1-trans-«delta»(sup9)-tetrahydro-
• 1-trans-«delta»(sup9)-tetrahydrocannabinol
• Primolut
• Exocyclic «delta»(9)(11)-Tetrahydrocannabiol
• 6H-Dibenzo[b,d]pyran-1-ol, 6a,7,8,10a-tetrahydro-6,9,9-trimethyl-3-pentyl-, (6ar-trans)-
• 6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol

• 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).
• 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

Property	Value	Unit	Source
ΔfG°	82.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-398.00	kJ/mol	Joback Calculated Property
ΔfusH°	44.85	kJ/mol	Joback Calculated Property
ΔvapH°	83.13	kJ/mol	Joback Calculated Property
log10WS	-6.41		Crippen 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	[2466.00; 2473.00]
Inp	2466.00		NIST
Inp	2470.00		NIST
Inp	2473.00		NIST
Tboil	845.82	K	Joback Calculated Property
Tc	1074.44	K	Joback Calculated Property
Tfus	577.96	K	Joback Calculated Property
Vc	0.972	m3/kmol	Joback Calculated Property

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 Dronabinol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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