Chemical Properties of (23S)-5-Cholesten-3-«beta»,23-diol, TMS

InChI

InChI=1S/C33H62O2Si2/c1-23(2)20-27(35-37(9,10)11)21-24(3)29-14-15-30-28-13-12-25-22-26(34-36(6,7)8)16-18-32(25,4)31(28)17-19-33(29,30)5/h12,23-24,26-31H,13-22H2,1-11H3/t24-,26+,27+,28?,29-,30?,31?,32+,33-/m0/s1

InChI Key

YGRWJMBAOKLQGP-ZXSKRFPHSA-N

Formula

C33H62O2Si2

SMILES

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

Molecular Weight¹

547.02

• 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	0.7166		Relay (1.0) Calculated Property
ΔfG°	146.04	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-891.91	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	124.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.46	eV	Relay (1.0) Calculated Property
log10WS	-7.99		Relay (1.0) Calculated Property
logPoct/wat	10.078		Crippen Calculated Property
Inp	[3323.00; 3323.00]
Inp	3323.00		NIST
Inp	3323.00		NIST
Tboil	712.22	K	Relay (1.0) Calculated Property
Tc	956.07	K	Relay (1.0) Calculated Property
Tfus	373.99	K	Relay (1.0) Calculated Property
Vc	1.806	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to (23S)-5-Cholesten-3-«beta»,23-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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