Chemical Properties of Hexahydrocannabinol (CAS 6692-85-9)

InChI

InChI=1S/C21H32O2/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/h12-14,16-17,22H,5-11H2,1-4H3

InChI Key

XKRHRBJLCLXSGE-UHFFFAOYSA-N

Formula

C21H32O2

SMILES

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

Molecular Weight¹

316.48

CAS

6692-85-9

Other Names

• 6H-Dibenzo[b,d]pyran-1-ol, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-

• 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

Property	Value	Unit	Source
ω	0.7674		Relay (... Calculated Property
ΔfG°	54.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-480.38	kJ/mol	Relay (... Calculated Property
ΔfusH°	45.08	kJ/mol	Joback Calculated Property
ΔvapH°	112.64	kJ/mol	Relay (... Calculated Property
IE	7.71	eV	Relay (... Calculated Property
log10WS	-6.03		Relay (... Calculated Property
logPoct/wat	5.816		Crippen Calculated Property
McVol	273.010	ml/mol	McGowan Calculated Property
Pc	1594.89	kPa	Joback Calculated Property
Inp	[2407.00; 2407.00]
Inp	2407.00		NIST
Inp	2407.00		NIST
Tboil	652.11	K	Relay (... Calculated Property
Tc	908.52	K	Relay (... Calculated Property
Tfus	379.27	K	Relay (... Calculated Property
Vc	0.992	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[910.13; 1041.00]	J/mol×K	[837.01; 1063.38]
Cp,gas	910.13	J/mol×K	837.01	Joback Calculated Property
Cp,gas	932.17	J/mol×K	874.74	Joback Calculated Property
Cp,gas	953.80	J/mol×K	912.47	Joback Calculated Property
Cp,gas	975.28	J/mol×K	950.20	Joback Calculated Property
Cp,gas	996.81	J/mol×K	987.93	Joback Calculated Property
Cp,gas	1018.64	J/mol×K	1025.66	Joback Calculated Property
Cp,gas	1041.00	J/mol×K	1063.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexahydrocannabinol.

Sources

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

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