Chemical Properties of 6-Tetrahydrocannabinol, 7-hydroxy, allyl-DMS

InChI

InChI=1S/C31H50O3Si2/c1-11-14-15-16-24-21-26-29(27(22-24)33-35(7,8)17-12-2)25-19-23(4)20-28(30(25)31(5,6)32-26)34-36(9,10)18-13-3/h12-13,20-22,25,28,30H,2-3,11,14-19H2,1,4-10H3/t25-,28?,30-/m1/s1

InChI Key

ZMSRJOHBYFEIPW-JETRDCLMSA-N

Formula

C31H50O3Si2

SMILES

C=CC[Si](C)(C)Oc1cc(CCCCC)cc2c1C1CC(C)=CC(O[Si](C)(C)CC=C)C1C(C)(C)O2

Molecular Weight¹

526.90

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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.
• 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	0.8619		Relay (... Calculated Property
ΔfG°	117.48	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-724.58	kJ/mol	Relay (... Calculated Property
ΔvapH°	109.00	kJ/mol	Relay (... Calculated Property
IE	7.62	eV	Relay (... Calculated Property
log10WS	-6.82		Relay (... Calculated Property
logPoct/wat	9.186		Crippen Calculated Property
Pc	-82.31	kPa	Relay (... Calculated Property ⚠️
Inp	[2973.00; 2973.00]
Inp	2973.00		NIST
Inp	2973.00		NIST
Tboil	730.67	K	Relay (... Calculated Property
Tc	946.63	K	Relay (... Calculated Property
Tfus	323.89	K	Relay (... Calculated Property
Vc	1.639	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 6-Tetrahydrocannabinol, 7-hydroxy, allyl-DMS.

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
• NIST Webbook

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