Chemical Properties of Cannabidiol, allyl-DMS

InChI

InChI=1S/C31H50O2Si2/c1-11-14-15-16-26-22-29(32-34(7,8)19-12-2)31(30(23-26)33-35(9,10)20-13-3)28-21-25(6)17-18-27(28)24(4)5/h12-13,21-23,27-28H,2-4,11,14-20H2,1,5-10H3/t27-,28?/m1/s1

InChI Key

LQVLXLSBZAMCKD-QXPUDEPPSA-N

Formula

C31H50O2Si2

SMILES

C=CC[Si](C)(C)Oc1cc(CCCCC)cc(O[Si](C)(C)CC=C)c1C1C=C(C)CCC1C(=C)C

Molecular Weight¹

510.90

• 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	0.8563		Relay (... Calculated Property
ΔfG°	257.74	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-550.08	kJ/mol	Relay (... Calculated Property
ΔvapH°	104.23	kJ/mol	Relay (... Calculated Property
IE	7.80	eV	Relay (... Calculated Property
log10WS	-7.51		Relay (... Calculated Property
logPoct/wat	9.975		Crippen Calculated Property
Pc	-161.76	kPa	Relay (... Calculated Property ⚠️
Inp	[2565.00; 2565.00]
Inp	2565.00		NIST
Inp	2565.00		NIST
Tboil	729.04	K	Relay (... Calculated Property
Tc	909.20	K	Relay (... Calculated Property
Tfus	307.35	K	Relay (... Calculated Property
Vc	1.597	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Cannabidiol, 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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