Chemical Properties of Propylcannabinol, TMS

InChI

InChI=1S/C22H30O2Si/c1-8-9-16-13-19-21(20(14-16)24-25(5,6)7)17-12-15(2)10-11-18(17)22(3,4)23-19/h10-14H,8-9H2,1-7H3

InChI Key

QXFAFOXNQLNHBY-UHFFFAOYSA-N

Formula

C22H30O2Si

SMILES

CCCc1cc2c(c(O[Si](C)(C)C)c1)-c1cc(C)ccc1C(C)(C)O2

Molecular Weight¹

354.56

• 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	0.7600		Relay (1.0) Calculated Property
ΔfG°	6.25	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-430.02	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	96.53	kJ/mol	Relay (1.0) Calculated Property
IE	7.65	eV	Relay (1.0) Calculated Property
log10WS	-6.65		Relay (1.0) Calculated Property
logPoct/wat	6.456		Crippen Calculated Property
Pc	712.55	kPa	Relay (1.0-beta) Calculated Property
Inp	[2238.00; 2238.00]
Inp	2238.00		NIST
Inp	2238.00		NIST
Tboil	657.56	K	Relay (1.0) Calculated Property
Tc	905.70	K	Relay (1.0) Calculated Property
Tfus	364.40	K	Relay (1.0) Calculated Property
Vc	1.158	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Propylcannabinol, TMS.

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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