Chemical Properties of Cannabidiol di-tms derivative (CAS 64846-15-7)

InChI

InChI=1S/C27H46O2Si2/c1-11-12-13-14-22-18-25(28-30(5,6)7)27(26(19-22)29-31(8,9)10)24-17-21(4)15-16-23(24)20(2)3/h17-19,23-24H,2,11-16H2,1,3-10H3

InChI Key

FWZOFSHJDAIJQE-UHFFFAOYSA-N

Formula

C27H46O2Si2

SMILES

C=C(C)C1CCC(C)=CC1c1c(O[Si](C)(C)C)cc(CCCCC)cc1O[Si](C)(C)C

Molecular Weight¹

458.82

CAS

64846-15-7

Other Names

• Cannabidiol, TMS

• 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	0.8035		Relay (... Calculated Property
ΔfG°	116.15	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-620.00	kJ/mol	Relay (... Calculated Property
ΔvapH°	96.57	kJ/mol	Relay (... Calculated Property
IE	7.97	eV	Relay (... Calculated Property
log10WS	-7.15		Relay (... Calculated Property
logPoct/wat	8.863		Crippen Calculated Property
Pc	-53.46	kPa	Relay (... Calculated Property ⚠️
Inp	[2270.00; 2270.00]
Inp	2270.00		NIST
Inp	2270.00		NIST
Tboil	682.05	K	Relay (... Calculated Property
Tc	869.82	K	Relay (... Calculated Property
Tfus	322.14	K	Relay (... Calculated Property
Vc	1.495	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Cannabidiol di-tms derivative.

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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