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_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°	-54.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-550.23	kJ/mol	Joback Calculated Property
ΔfusH°	48.93	kJ/mol	Joback Calculated Property
ΔvapH°	99.81	kJ/mol	Joback Calculated Property
log10WS	-5.67		Crippen Calculated Property
logPoct/wat	4.708		Crippen Calculated Property
McVol	274.580	ml/mol	McGowan Calculated Property
Pc	1798.51	kPa	Joback Calculated Property
Inp	[2902.70; 2902.70]
Inp	2902.70		NIST
Inp	2902.70		NIST
Tboil	938.00	K	Joback Calculated Property
Tc	1160.69	K	Joback Calculated Property
Tfus	638.78	K	Joback Calculated Property
Vc	0.991	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[947.12; 1079.22]	J/mol×K	[938.00; 1160.69]
Cp,gas	947.12	J/mol×K	938.00	Joback Calculated Property
Cp,gas	967.55	J/mol×K	975.12	Joback Calculated Property
Cp,gas	988.32	J/mol×K	1012.23	Joback Calculated Property
Cp,gas	1009.64	J/mol×K	1049.35	Joback Calculated Property
Cp,gas	1031.75	J/mol×K	1086.46	Joback Calculated Property
Cp,gas	1054.87	J/mol×K	1123.58	Joback Calculated Property
Cp,gas	1079.22	J/mol×K	1160.69	Joback Calculated Property

Similar Compounds

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

Sources

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

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