Chemical Properties of Cannabinol (CAS 521-35-7)

InChI

InChI=1S/C21H26O2/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/h9-13,22H,5-8H2,1-4H3

InChI Key

VBGLYOIFKLUMQG-UHFFFAOYSA-N

Formula

C21H26O2

SMILES

CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2

Molecular Weight¹

310.43

CAS

521-35-7

Other Names

• 3-Amyl-1-hydroxy-6,6,9-trimethyl-6H-dibenzo(b,d)pyran
• 6,6,9-Trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol
• 6,6,9-trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol
• 6H-Dibenzo[b,d]pyran-1-ol, 6,6,9-trimethyl-3-pentyl-
• CBN

• 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_fusH : Enthalpy of fusion at a given temperature (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°	138.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-264.70	kJ/mol	Joback Calculated Property
ΔfusH°	44.37	kJ/mol	Joback Calculated Property
ΔvapH°	85.65	kJ/mol	Joback Calculated Property
log10WS	-7.14		Crippen Calculated Property
logPoct/wat	5.728		Crippen Calculated Property
McVol	260.110	ml/mol	McGowan Calculated Property
Pc	1823.17	kPa	Joback Calculated Property
Inp	[2495.00; 2612.00]
Inp	2538.00		NIST
Inp	Outlier 2612.00		NIST
Inp	2495.00		NIST
Inp	2516.00		NIST
Inp	2525.00		NIST
Inp	2535.00		NIST
Inp	2520.00		NIST
Inp	2520.00		NIST
Inp	Outlier 2612.00		NIST
Inp	2525.00		NIST
Inp	2538.00		NIST
Inp	2495.00		NIST
Tboil	863.44	K	Joback Calculated Property
Tc	1096.53	K	Joback Calculated Property
Tfus	613.00	K	Joback Calculated Property
Vc	0.946	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[812.47; 934.45]	J/mol×K	[863.44; 1096.53]
Cp,gas	812.47	J/mol×K	863.44	Joback Calculated Property
Cp,gas	831.52	J/mol×K	902.29	Joback Calculated Property
Cp,gas	850.74	J/mol×K	941.14	Joback Calculated Property
Cp,gas	870.39	J/mol×K	979.99	Joback Calculated Property
Cp,gas	890.71	J/mol×K	1018.83	Joback Calculated Property
Cp,gas	911.98	J/mol×K	1057.68	Joback Calculated Property
Cp,gas	934.45	J/mol×K	1096.53	Joback Calculated Property
ΔfusH	17.00	kJ/mol	352.20	NIST

Similar Compounds

Find more compounds similar to Cannabinol.

Mixtures

• Carbon dioxide + Cannabinol

Sources

• Crippen Method
• Crippen Method
• Solubility of Cannabinol in Supercritical Carbon Dioxide
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.