Chemical Properties of 6«beta»-Hydroxy-Fluoxymesterone, bis-TMS

InChI

InChI=1S/C26H45FO4Si2/c1-23-12-10-17(28)14-20(23)21(30-32(4,5)6)15-19-18-11-13-25(3,31-33(7,8)9)24(18,2)16-22(29)26(19,23)27/h14,18-19,21-22,29H,10-13,15-16H2,1-9H3/t18?,19?,21-,22+,23?,24?,25+,26+/m0/s1

InChI Key

ZBYNGYYDXWNUIA-NPMOQSMMSA-N

Formula

C26H45FO4Si2

SMILES

CC1(O[Si](C)(C)C)CCC2C3CC(O[Si](C)(C)C)C4=CC(=O)CCC4(C)C3(F)C(O)CC21C

Molecular Weight¹

496.80

• 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	0.7311		Relay (... Calculated Property
ΔfG°	-321.41	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1221.97	kJ/mol	Relay (... Calculated Property
ΔvapH°	124.98	kJ/mol	Relay (... Calculated Property
IE	8.62	eV	Relay (... Calculated Property
log10WS	-4.64		Relay (... Calculated Property
logPoct/wat	6.021		Crippen Calculated Property
Pc	411.62	kPa	Relay (... Calculated Property ⚠️
Inp	[2995.00; 2995.00]
Inp	2995.00		NIST
Inp	2995.00		NIST
Tboil	687.51	K	Relay (... Calculated Property
Tc	976.02	K	Relay (... Calculated Property
Tfus	453.14	K	Relay (... Calculated Property
Vc	1.504	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 6«beta»-Hydroxy-Fluoxymesterone, bis-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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