Chemical Properties of 6H-Dibenzo(b,d)pyran-1-ol, 3-hexyl-7,8,9,10-tetrahydro-6,6,9-trimethyl- (CAS 117-51-1)

InChI

InChI=1S/C22H32O2/c1-5-6-7-8-9-16-13-19(23)21-17-12-15(2)10-11-18(17)22(3,4)24-20(21)14-16/h13-15,23H,5-12H2,1-4H3

InChI Key

OORFXDSWECAQLI-UHFFFAOYSA-N

Formula

C22H32O2

SMILES

CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1

Molecular Weight¹

328.49

CAS

117-51-1

Other Names

• 3-Hexyl-7,8,9,10-tetrahydro-6,6,9-trimethyl-6H-dibenzo(b,d)pyran-1-ol
• 3-Homotetrahydrocannibinol
• 1-Hydroxy-3-n-hexyl-6,6,9-trimethyl-7,8,9,10-tetrahydro-6-dibenzopyran
• Parahexyl
• Pyrahexyl
• Synhexyl

• 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°	89.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-409.77	kJ/mol	Joback Calculated Property
ΔfusH°	45.98	kJ/mol	Joback Calculated Property
ΔvapH°	86.33	kJ/mol	Joback Calculated Property
log10WS	-7.03		Crippen Calculated Property
logPoct/wat	6.260		Crippen Calculated Property
McVol	282.800	ml/mol	McGowan Calculated Property
Pc	1564.75	kPa	Joback Calculated Property
Inp	[2616.00; 2616.00]
Inp	2616.00		NIST
Inp	2616.00		NIST
Tboil	878.35	K	Joback Calculated Property
Tc	1105.47	K	Joback Calculated Property
Tfus	605.99	K	Joback Calculated Property
Vc	1.028	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[935.31; 1068.78]	J/mol×K	[878.35; 1105.47]
Cp,gas	935.31	J/mol×K	878.35	Joback Calculated Property
Cp,gas	956.80	J/mol×K	916.20	Joback Calculated Property
Cp,gas	978.27	J/mol×K	954.06	Joback Calculated Property
Cp,gas	999.96	J/mol×K	991.91	Joback Calculated Property
Cp,gas	1022.11	J/mol×K	1029.77	Joback Calculated Property
Cp,gas	1044.97	J/mol×K	1067.62	Joback Calculated Property
Cp,gas	1068.78	J/mol×K	1105.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6H-Dibenzo(b,d)pyran-1-ol, 3-hexyl-7,8,9,10-tetrahydro-6,6,9-trimethyl-.

Sources

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

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