Chemical Properties of 11-Hydroxy-«DELTA»9-tetrahydrocannabinol (CAS 36557-05-8)

InChI

InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h10-12,16-17,22-23H,4-9,13H2,1-3H3/t16-,17-/m0/s1

InChI Key

YCBKSSAWEUDACY-IRXDYDNUSA-N

Formula

C21H30O3

SMILES

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

Molecular Weight¹

330.46

CAS

36557-05-8

Other Names

• 6H-Dibenzo[b,d]pyran-9-methanol, 6a,7,8,10a-tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-, (6aR-trans)-
• 11-Hydroxy-«DELTA»9-THC
• 11-Hydroxytetrahydrocannabinol
• 7-Hydroxy-«DELTA»1-tetrahydrocannabinol
• 6H-Dibenzo(b,d)pyran-9-methanol, 6a,7,8,10a-tetrahydro-6,6-dimethyl-1-hydroxy-3-pentyl-,(6aR-trans)-
• 9-(Hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol-, (6aR-trans)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	48.93	kJ/mol	Joback Calculated Property
logPoct/wat	4.708		Crippen Calculated Property
McVol	274.580	ml/mol	McGowan Calculated Property
Inp	[2902.70; 2902.70]
Inp	2902.70		NIST
Inp	2902.70		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[947.23; 1079.39]	J/mol×K	[938.20; 1160.94]
Cp,gas	947.23	J/mol×K	938.20	Joback Calculated Property
Cp,gas	967.67	J/mol×K	975.32	Joback Calculated Property
Cp,gas	988.44	J/mol×K	1012.45	Joback Calculated Property
Cp,gas	1009.77	J/mol×K	1049.57	Joback Calculated Property
Cp,gas	1031.89	J/mol×K	1086.69	Joback Calculated Property
Cp,gas	1055.02	J/mol×K	1123.82	Joback Calculated Property
Cp,gas	1079.39	J/mol×K	1160.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to 11-Hydroxy-«DELTA»9-tetrahydrocannabinol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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