Chemical Properties of 11«alpha»-Hydroxyprogesterone, trimethylsilyl ether

InChI

InChI=1S/C24H38O3Si/c1-15(25)19-9-10-20-18-8-7-16-13-17(26)11-12-23(16,2)22(18)21(14-24(19,20)3)27-28(4,5)6/h13,18-22H,7-12,14H2,1-6H3

InChI Key

WBASQZHRPPCPFM-UHFFFAOYSA-N

Formula

C24H38O3Si

SMILES

CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O[Si](C)(C)C)CC12C

Molecular Weight¹

402.64

Other Names

• (11«alpha»)-11-[(Trimethylsilyl)oxy]pregn-4-ene-3,20-dione
• 11«ALPHA»-hydroxyprogesterone, 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	0.5879		Relay (... Calculated Property
ΔfG°	-55.08	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-724.34	kJ/mol	Relay (... Calculated Property
ΔvapH°	108.26	kJ/mol	Relay (... Calculated Property
IE	8.74	eV	Relay (... Calculated Property
log10WS	-4.77		Relay (... Calculated Property
logPoct/wat	5.553		Crippen Calculated Property
Pc	704.70	kPa	Relay (... Calculated Property ⚠️
Inp	[3116.90; 3116.90]
Inp	3116.90		NIST
Inp	3116.90		NIST
Tboil	677.99	K	Relay (... Calculated Property
Tc	953.60	K	Relay (... Calculated Property
Tfus	397.50	K	Relay (... Calculated Property
Vc	1.204	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 11«alpha»-Hydroxyprogesterone, trimethylsilyl ether.

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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