Chemical Properties of propyl-cannabinolic acid, TMS

InChI

InChI=1S/C26H38O4Si2/c1-11-12-18-16-21-23(19-15-17(2)13-14-20(19)26(3,4)28-21)24(29-31(5,6)7)22(18)25(27)30-32(8,9)10/h13-16H,11-12H2,1-10H3

InChI Key

NZWQOTSHPBZFQM-UHFFFAOYSA-N

Formula

C26H38O4Si2

SMILES

CCCc1cc2c(c(O[Si](C)(C)C)c1C(=O)O[Si](C)(C)C)-c1cc(C)ccc1C(C)(C)O2

Molecular Weight¹

470.75

• 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.
• 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	0.9656		Relay (1.0) Calculated Property
ΔfG°	-237.06	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-896.23	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	104.86	kJ/mol	Relay (1.0) Calculated Property
IE	7.76	eV	Relay (1.0) Calculated Property
log10WS	-6.79		Relay (1.0) Calculated Property
logPoct/wat	7.447		Crippen Calculated Property
Inp	[2575.00; 2575.00]
Inp	2575.00		NIST
Inp	2575.00		NIST
Tboil	695.80	K	Relay (1.0) Calculated Property
Tc	966.42	K	Relay (1.0) Calculated Property
Tfus	377.38	K	Relay (1.0) Calculated Property
Vc	1.506	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to propyl-cannabinolic acid, 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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