Chemical Properties of 1(7)-Tetrahydrocannabinol, TBDMS

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/h17-18,21-22H,2,10-16H2,1,3-9H3/t21?,22-/m1/s1

InChI Key

SVRFTGVMSZGQLA-FOIFJWKZSA-N

Formula

C27H44O2Si

SMILES

C=C1CCC2C(C1)c1c(cc(CCCCC)cc1O[Si](C)(C)C(C)(C)C)OC2(C)C

Molecular Weight¹

428.72

• 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	0.7680		Relay (... Calculated Property
ΔfG°	88.01	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-566.82	kJ/mol	Relay (... Calculated Property
ΔvapH°	99.17	kJ/mol	Relay (... Calculated Property
IE	7.75	eV	Relay (... Calculated Property
log10WS	-7.06		Relay (... Calculated Property
logPoct/wat	8.414		Crippen Calculated Property
Pc	539.01	kPa	Relay (... Calculated Property ⚠️
Inp	[2559.00; 2559.00]
Inp	2559.00		NIST
Inp	2559.00		NIST
Tboil	700.82	K	Relay (... Calculated Property
Tc	930.20	K	Relay (... Calculated Property
Tfus	355.80	K	Relay (... Calculated Property
Vc	1.394	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 1(7)-Tetrahydrocannabinol, TBDMS.

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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