Chemical Properties of Tri(trimethylsilyl) derivative of estriol (CAS 18888-17-0)

InChI

InChI=1S/C27H48O3Si3/c1-27-16-15-22-21-14-12-20(28-31(2,3)4)17-19(21)11-13-23(22)24(27)18-25(29-32(5,6)7)26(27)30-33(8,9)10/h12,14,17,22-26H,11,13,15-16,18H2,1-10H3/t22?,23?,24?,25-,26+,27?/m0/s1

InChI Key

MCKRDIGCTGOZEH-YHZIIQIWSA-N

Formula

C27H48O3Si3

SMILES

CC12CCC3c4ccc(O[Si](C)(C)C)cc4CCC3C1CC(O[Si](C)(C)C)C2O[Si](C)(C)C

Molecular Weight¹

504.92

CAS

18888-17-0

Other Names

• Estratriol tri-TMS
• Trimethylsilyl ether of estriol
• Silane, [[(16«alpha»,17«beta»)-estra-1,3,5(10)-triene-3,16,17-triyl]tris(oxy)]tris[trimethyl-
• 3,16,17-Tris[(trimethylsilyl)oxy]estra-1,3,5(10)-triene, (16«alpha»,17«beta»)-
• Estriol, tris-TMS
• Estriol, tris-TMS ether
• Estriol, tris(trimethylsilyl) ether
• Oestriol, tris-TMS
• Tris(trimethylsilyl)estriol
• Estriol, TMS
• Oestriol, TMS
• Estriol, MO TMS
• Estriol, 3tms 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	0.7308		Relay (... Calculated Property
ΔfG°	-4.52	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-886.30	kJ/mol	Relay (... Calculated Property
ΔvapH°	105.96	kJ/mol	Relay (... Calculated Property
IE	8.42	eV	Relay (... Calculated Property
log10WS	-6.66		Relay (... Calculated Property
logPoct/wat	7.806		Crippen Calculated Property
Pc	-69.64	kPa	Relay (... Calculated Property ⚠️
Inp	[2850.00; 2918.70]
Inp	2885.00		NIST
Inp	2894.00		NIST
Inp	2904.00		NIST
Inp	2870.00		NIST
Inp	2870.00		NIST
Inp	2870.00		NIST
Inp	2918.70		NIST
Inp	2892.00		NIST
Inp	2901.00		NIST
Inp	2850.00		NIST
Inp	2870.00		NIST
Inp	2889.00		NIST
Inp	2865.00		NIST
Inp	2874.00		NIST
Inp	2877.00		NIST
Inp	2885.00		NIST
Inp	2918.70		NIST
Inp	2870.00		NIST
Inp	2889.00		NIST
Tboil	704.18	K	Relay (... Calculated Property
Tc	950.56	K	Relay (... Calculated Property
Tfus	380.01	K	Relay (... Calculated Property
Vc	1.624	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Tri(trimethylsilyl) derivative of estriol.

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.