Chemical Properties of Silane, (estra-1,3,5(10)-trien-3-yloxy)trimethyl- (CAS 29755-24-6)

InChI

InChI=1S/C21H32OSi/c1-21-12-5-6-20(21)19-9-7-15-14-16(22-23(2,3)4)8-10-17(15)18(19)11-13-21/h8,10,14,18-20H,5-7,9,11-13H2,1-4H3

InChI Key

FXRPWGRCNHJNJG-UHFFFAOYSA-N

Formula

C21H32OSi

SMILES

CC12CCCC1C1CCc3cc(O[Si](C)(C)C)ccc3C1CC2

Molecular Weight¹

328.56

CAS

29755-24-6

Other Names

• 3-[(Trimethylsilyl)oxy]estra-1,3,5(10)-triene
• «beta»-Estradiol, TMS
• 17-Deoxoestrone, tms 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	0.5630		Relay (... Calculated Property
ΔfG°	142.35	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-377.25	kJ/mol	Relay (... Calculated Property
ΔvapH°	95.06	kJ/mol	Relay (... Calculated Property
IE	8.35	eV	Relay (... Calculated Property
log10WS	-6.27		Relay (... Calculated Property
logPoct/wat	6.146		Crippen Calculated Property
Pc	911.52	kPa	Relay (... Calculated Property ⚠️
Inp	[2412.00; 2412.00]
Inp	2412.00		NIST
Inp	2412.00		NIST
Tboil	657.14	K	Relay (... Calculated Property
Tc	891.92	K	Relay (... Calculated Property
Tfus	383.07	K	Relay (... Calculated Property
Vc	1.050	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Silane, (estra-1,3,5(10)-trien-3-yloxy)trimethyl-.

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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