Chemical Properties of 11-Deoxycortisol, bis(trimethylsilyl) ether, bis(O-methyloxime)

InChI

InChI=1S/C29H52N2O4Si2/c1-27-16-13-22(30-32-3)19-21(27)11-12-23-24(27)14-17-28(2)25(23)15-18-29(28,35-37(8,9)10)26(31-33-4)20-34-36(5,6)7/h19,23-25H,11-18,20H2,1-10H3

InChI Key

MUPBZKSHPSGNPV-UHFFFAOYSA-N

Formula

C29H52N2O4Si2

SMILES

CON=C1C=C2CCC3C(CCC4(C)C3CCC4(O[Si](C)(C)C)C(CO[Si](C)(C)C)=NOC)C2(C)CC1

Molecular Weight¹

548.91

Other Names

• 11-deoxycortisol, MO-TMS

• 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.
• 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	0.8408		Relay (1.0) Calculated Property
ΔfG°	159.80	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-711.65	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	116.71	kJ/mol	Relay (1.0) Calculated Property
IE	8.04	eV	Relay (1.0) Calculated Property
log10WS	-5.52		Relay (1.0) Calculated Property
logPoct/wat	7.396		Crippen Calculated Property
Inp	[3070.00; 3124.00]
Inp	3070.00		NIST
Inp	3124.00		NIST
Inp	3070.00		NIST
Inp	3124.00		NIST
Tboil	713.04	K	Relay (1.0) Calculated Property
Tc	973.29	K	Relay (1.0) Calculated Property
Tfus	375.50	K	Relay (1.0) Calculated Property
Vc	1.669	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 11-Deoxycortisol, bis(trimethylsilyl) ether, bis(O-methyloxime).

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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