Chemical Properties of (24S)-24-ethyl-5«alpha»-cholestan-3«beta»,24-diol, TMS

InChI

InChI=1S/C35H68O2Si2/c1-13-35(25(2)3,37-39(10,11)12)23-18-26(4)30-16-17-31-29-15-14-27-24-28(36-38(7,8)9)19-21-33(27,5)32(29)20-22-34(30,31)6/h25-32H,13-24H2,1-12H3/t26?,27-,28-,29?,30?,31?,32?,33?,34?,35-/m1/s1

InChI Key

NHGLLGYKQQEFMP-RZLQZIACSA-N

Formula

C35H68O2Si2

SMILES

CCC(CCC(C)C1CCC2C3CCC4CC(O[Si](C)(C)C)CCC4(C)C3CCC12C)(O[Si](C)(C)C)C(C)C

Molecular Weight¹

577.08

• 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	0.7740		Relay (... Calculated Property
ΔfG°	91.33	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1005.79	kJ/mol	Relay (... Calculated Property
ΔvapH°	126.72	kJ/mol	Relay (... Calculated Property
IE	8.71	eV	Relay (... Calculated Property
log10WS	-8.50		Relay (... Calculated Property
logPoct/wat	10.938		Crippen Calculated Property
Pc	-447.37	kPa	Relay (... Calculated Property ⚠️
Inp	[3572.00; 3574.00]
Inp	3572.00		NIST
Inp	3574.00		NIST
Inp	3572.00		NIST
Tboil	736.83	K	Relay (... Calculated Property
Tc	990.47	K	Relay (... Calculated Property
Tfus	384.36	K	Relay (... Calculated Property
Vc	1.939	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to (24S)-24-ethyl-5«alpha»-cholestan-3«beta»,24-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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