Chemical Properties of 5-Cholesten-3-«beta»,27-diol, TMS

InChI

InChI=1S/C33H62O2Si2/c1-24(23-34-36(5,6)7)12-11-13-25(2)29-16-17-30-28-15-14-26-22-27(35-37(8,9)10)18-20-32(26,3)31(28)19-21-33(29,30)4/h14,24-25,27-31H,11-13,15-23H2,1-10H3/t24?,25-,27?,28?,29?,30?,31?,32?,33?/m1/s1

InChI Key

XPOWNWJGSYYWLA-TZWGRJOJSA-N

Formula

C33H62O2Si2

SMILES

CC(CCCC(C)C1CCC2C3CC=C4CC(O[Si](C)(C)C)CCC4(C)C3CCC12C)CO[Si](C)(C)C

Molecular Weight¹

547.02

Other Names

• 27-Hydroxycholesterol, TMS
• 5-Cholesten-3B(25R),26-diol, TMS
• 5-Cholesten-3-«beta»,26-diol, TMS
• 26-Hydroxycholesterol, di-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.
• 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	0.7532		Relay (1.0) Calculated Property
ΔfG°	158.28	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-896.21	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	128.08	kJ/mol	Relay (1.0) Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	-8.23		Relay (1.0) Calculated Property
logPoct/wat	10.079		Crippen Calculated Property
Inp	[3450.00; 3470.00]
Inp	3450.00		NIST
Inp	3470.00		NIST
Inp	3459.00		NIST
Inp	3450.00		NIST
Inp	3455.00		NIST
Inp	3450.00		NIST
Tboil	718.78	K	Relay (1.0) Calculated Property
Tc	963.78	K	Relay (1.0) Calculated Property
Tfus	363.98	K	Relay (1.0) Calculated Property
Vc	1.809	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 5-Cholesten-3-«beta»,27-diol, 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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