Chemical Properties of Silane, (1,1-dimethylethyl)dimethyl[(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-yl)oxy]-, (6aR-trans)- (CAS 61919-32-2)

InChI

InChI=1S/C27H44O2Si/c1-10-11-12-13-20-17-23-25(24(18-20)29-30(8,9)26(3,4)5)21-16-19(2)14-15-22(21)27(6,7)28-23/h14,17-18,21-22H,10-13,15-16H2,1-9H3/t21-,22-/m1/s1

InChI Key

UUQPIXMMBJUVMT-FGZHOGPDSA-N

Formula

C27H44O2Si

SMILES

CCCCCc1cc2c(c(O[Si](C)(C)C(C)(C)C)c1)C1CC(C)=CCC1C(C)(C)O2

Molecular Weight¹

428.72

CAS

61919-32-2

Other Names

• «delta»1(6)-Tetrahydrocannabinol tert-butyldimethylsilyl ether
• 6-Tetrahydrocannabinol, TBDMS

• 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	0.7571		Relay (... Calculated Property
ΔfG°	93.20	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-563.24	kJ/mol	Relay (... Calculated Property
ΔvapH°	100.05	kJ/mol	Relay (... Calculated Property
IE	7.47	eV	Relay (... Calculated Property
log10WS	-7.06		Relay (... Calculated Property
logPoct/wat	8.414		Crippen Calculated Property
Pc	518.23	kPa	Relay (... Calculated Property ⚠️
Inp	[2542.00; 2542.00]
Inp	2542.00		NIST
Inp	2542.00		NIST
Tboil	681.93	K	Relay (... Calculated Property
Tc	918.66	K	Relay (... Calculated Property
Tfus	353.49	K	Relay (... Calculated Property
Vc	1.403	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Silane, (1,1-dimethylethyl)dimethyl[(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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