Chemical Properties of Silane, dimethyl-2-propenyl[(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-yl)oxy]-, (6ar-trans)- (CAS 65598-20-1)

InChI

InChI=1S/C26H40O2Si/c1-8-10-11-12-20-17-23-25(24(18-20)28-29(6,7)15-9-2)21-16-19(3)13-14-22(21)26(4,5)27-23/h9,13,17-18,21-22H,2,8,10-12,14-16H2,1,3-7H3/t21-,22-/m0/s1

InChI Key

KEKPDAVECCFWBR-VXKWHMMOSA-N

Formula

C26H40O2Si

SMILES

C=CC[Si](C)(C)Oc1cc(CCCCC)cc2c1C1CC(C)=CCC1C(C)(C)O2

Molecular Weight¹

412.68

CAS

65598-20-1

Other Names

• «delta»(6)-Tetrahydrocannabinol allyldimethylsilyl ether
• 6-Tetrahydrocannabinol, allyl-DMS

• 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	0.7492		Relay (... Calculated Property
ΔfG°	146.03	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-467.69	kJ/mol	Relay (... Calculated Property
ΔvapH°	101.68	kJ/mol	Relay (... Calculated Property
IE	7.57	eV	Relay (... Calculated Property
log10WS	-6.60		Relay (... Calculated Property
logPoct/wat	7.800		Crippen Calculated Property
Pc	403.43	kPa	Relay (... Calculated Property ⚠️
Inp	[2495.00; 2495.00]
Inp	2495.00		NIST
Inp	2495.00		NIST
Tboil	698.35	K	Relay (... Calculated Property
Tc	909.72	K	Relay (... Calculated Property
Tfus	328.20	K	Relay (... Calculated Property
Vc	1.307	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Silane, dimethyl-2-propenyl[(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-yl)oxy]-, (6ar-trans)-.

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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