Chemical Properties of 20«alpha»-Hydroxycholesterol, di-TMS

InChI

InChI=1S/C33H62O2Si2/c1-24(2)13-12-20-33(5,35-37(9,10)11)30-17-16-28-27-15-14-25-23-26(34-36(6,7)8)18-21-31(25,3)29(27)19-22-32(28,30)4/h14,24,26-30H,12-13,15-23H2,1-11H3/t26?,27?,28?,29?,30?,31?,32?,33-/m0/s1

InChI Key

CQPWPAFGIXWUMR-BGYXAHISSA-N

Formula

C33H62O2Si2

SMILES

CC(C)CCCC(C)(O[Si](C)(C)C)C1CCC2C3CC=C4CC(O[Si](C)(C)C)CCC4(C)C3CCC21C

Molecular Weight¹

547.02

Other Names

• Cholesterol, 20«alpha»-hydroxy, 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	0.7310		Relay (... Calculated Property
ΔfG°	133.29	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-876.80	kJ/mol	Relay (... Calculated Property
ΔvapH°	122.15	kJ/mol	Relay (... Calculated Property
IE	8.52	eV	Relay (... Calculated Property
log10WS	-7.96		Relay (... Calculated Property
logPoct/wat	10.222		Crippen Calculated Property
Pc	-337.53	kPa	Relay (... Calculated Property ⚠️
Inp	[3315.00; 3315.00]
Inp	3315.00		NIST
Inp	3315.00		NIST
Tboil	710.76	K	Relay (... Calculated Property
Tc	959.40	K	Relay (... Calculated Property
Tfus	373.52	K	Relay (... Calculated Property
Vc	1.823	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 20«alpha»-Hydroxycholesterol, di-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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