Chemical Properties of 3«beta»,17«alpha»-Bis(trimethylsiloxy)androst-5-ene (CAS 13111-27-8)

InChI

InChI=1S/C25H46O2Si2/c1-24-15-13-19(26-28(3,4)5)17-18(24)9-10-20-21-11-12-23(27-29(6,7)8)25(21,2)16-14-22(20)24/h9,19-23H,10-17H2,1-8H3/t19-,20-,21-,22-,23+,24-,25-/m1/s1

InChI Key

YXSPGYZGGCSNLG-UYJXDEQJSA-N

Formula

C25H46O2Si2

SMILES

CC12CCC(O[Si](C)(C)C)CC1=CCC1C2CCC2(C)C(O[Si](C)(C)C)CCC12

Molecular Weight¹

434.80

CAS

13111-27-8

Other Names

• Silane, [[(3«beta»,17«alpha»)-androst-5-ene-3,17-diyl]bis(oxy)]bis[trimethyl-
• Silane, (androst-5-en-3«beta»,17«alpha»-ylenedioxy)bis[trimethyl-
• Bis(trimethylsilyl) derivative of 5-Androstene-3«beta»,17«alpha»-diol
• 3,17-Bis[(trimethylsilyl)oxy]androst-5-ene, (3«beta»,17«alpha»)-
• 5-Androsten-3-«beta»,17-«alpha»-diol, bis-TMS
• Androst-5-en-3«beta»,17«alpha»-diol, di-TMS
• Androst-5-en-3B,17A-diol, TMS
• 5-Androsten-3-«beta»,17-«alpha»-diol, TMS
• Androst-5-ene-3,17-diol, (3«beta»,17«alpha»)-, 2tms derivative

• 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	0.5541		Relay (... Calculated Property
ΔfG°	93.02	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-700.92	kJ/mol	Relay (... Calculated Property
ΔvapH°	101.06	kJ/mol	Relay (... Calculated Property
IE	8.53	eV	Relay (... Calculated Property
log10WS	-6.17		Relay (... Calculated Property
logPoct/wat	7.389		Crippen Calculated Property
Pc	281.53	kPa	Relay (... Calculated Property ⚠️
Inp	[2582.00; 2600.00]
Inp	2600.00		NIST
Inp	Outlier 2582.00		NIST
Inp	2598.00		NIST
Inp	2600.00		NIST
Inp	2593.00		NIST
Inp	2600.00		NIST
Inp	2593.00		NIST
Tboil	653.67	K	Relay (... Calculated Property
Tc	904.98	K	Relay (... Calculated Property
Tfus	375.11	K	Relay (... Calculated Property
Vc	1.421	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 3«beta»,17«alpha»-Bis(trimethylsiloxy)androst-5-ene.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.