Chemical Properties of Bis(trimethylsilyl)estradiol (CAS 5150-62-9)

InChI

InChI=1S/C24H40O2Si2/c1-24-15-14-20-19-11-9-18(25-27(2,3)4)16-17(19)8-10-21(20)22(24)12-13-23(24)26-28(5,6)7/h9,11,16,20-23H,8,10,12-15H2,1-7H3/t20?,21?,22?,23-,24?/m1/s1

InChI Key

WJUROLKZHWTVGC-XCBYWJNASA-N

Formula

C24H40O2Si2

SMILES

CC12CCC3c4ccc(O[Si](C)(C)C)cc4CCC3C1CCC2O[Si](C)(C)C

Molecular Weight¹

416.74

CAS

5150-62-9

Other Names

• Silane, [[(17«beta»)-estra-1,3,5(10)-triene-3,17-diyl]bis(oxy)]bis[trimethyl-
• Silane, (estra-1,3,5(10)-trien-3,17«beta»-ylenedioxy)bis[trimethyl-
• 3,17-Bis[(trimethylsilyl)oxy]estra-1,3,5(10)-triene
• «beta»-Estradiol, bis(trimethylsilyl) ether
• Estradiol, 2TMS
• Oestradiol, bis-TMS
• Estradiol, TMS
• Oestradiol, TMS
• Estradiol, MO TMS
• Estradiol, 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	0.6495		Relay (1.0) Calculated Property
ΔfG°	70.16	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-611.66	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	102.04	kJ/mol	Relay (1.0) Calculated Property
IE	8.38	eV	Relay (1.0) Calculated Property
log10WS	-6.26		Relay (1.0) Calculated Property
logPoct/wat	6.976		Crippen Calculated Property
Pc	404.36	kPa	Relay (1.0-beta) Calculated Property
Inp	[2629.00; 2695.60]
Inp	2660.00		NIST
Inp	2671.00		NIST
Inp	2687.00		NIST
Inp	2660.00		NIST
Inp	2629.00		NIST
Inp	2629.00		NIST
Inp	2629.00		NIST
Inp	2695.60		NIST
Inp	2679.00		NIST
Inp	2691.00		NIST
Inp	2660.00		NIST
Tboil	680.15	K	Relay (1.0) Calculated Property
Tc	923.12	K	Relay (1.0) Calculated Property
Tfus	383.57	K	Relay (1.0) Calculated Property
Vc	1.334	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Bis(trimethylsilyl)estradiol.

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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