Chemical Properties of 3«alpha»-hydroxy-9,15-cyclo-GA9 (GA107), MeTMS

InChI

InChI=1S/C23H32O5Si/c1-12-13-7-9-22-16(12)21(22,11-13)15(18(24)26-3)17-20(2)14(28-29(4,5)6)8-10-23(17,22)27-19(20)25/h13-17H,1,7-11H2,2-6H3/t13?,14-,15-,16?,17-,20-,21-,22+,23+/m0/s1

InChI Key

DJWIPOWTBQNJHO-XIYYVQIMSA-N

Formula

C23H32O5Si

SMILES

C=C1C2CCC34C1C3(C2)C(C(=O)OC)C1C2(C)C(=O)OC14CCC2O[Si](C)(C)C

Molecular Weight¹

416.58

• 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	0.5828		Relay (... Calculated Property
ΔfG°	-302.53	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-799.94	kJ/mol	Relay (... Calculated Property
ΔvapH°	107.28	kJ/mol	Relay (... Calculated Property
IE	8.93	eV	Relay (... Calculated Property
log10WS	-3.53		Relay (... Calculated Property
logPoct/wat	3.694		Crippen Calculated Property
Pc	731.08	kPa	Relay (... Calculated Property ⚠️
Inp	[2545.00; 2550.00]
Inp	2545.00		NIST
Inp	2550.00		NIST
Tboil	644.04	K	Relay (... Calculated Property
Tc	973.65	K	Relay (... Calculated Property
Tfus	400.18	K	Relay (... Calculated Property
Vc	1.190	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 3«alpha»-hydroxy-9,15-cyclo-GA9 (GA107), MeTMS.

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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