Chemical Properties of 17«alpha»-Hydroxyprogesterone, trimethylsilyl ether, bis(O-methyloxime)

InChI

InChI=1S/C26H44N2O3Si/c1-18(27-29-4)26(31-32(6,7)8)16-13-23-21-10-9-19-17-20(28-30-5)11-14-24(19,2)22(21)12-15-25(23,26)3/h17,21-23H,9-16H2,1-8H3

InChI Key

DJGZFMGSCOSLED-UHFFFAOYSA-N

Formula

C26H44N2O3Si

SMILES

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

Molecular Weight¹

460.72

Other Names

• 17«alpha»-Hydroxyprogesterone, 3,20-bis-MO, 17-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.
• 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	0.7352		Relay (... Calculated Property
ΔfG°	236.21	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-446.06	kJ/mol	Relay (... Calculated Property
ΔvapH°	114.56	kJ/mol	Relay (... Calculated Property
IE	7.99	eV	Relay (... Calculated Property
log10WS	-5.14		Relay (... Calculated Property
logPoct/wat	6.564		Crippen Calculated Property
Pc	307.12	kPa	Relay (... Calculated Property ⚠️
Inp	[2910.00; 2910.00]
Inp	2910.00		NIST
Inp	2910.00		NIST
Tboil	680.11	K	Relay (... Calculated Property
Tc	945.29	K	Relay (... Calculated Property
Tfus	393.27	K	Relay (... Calculated Property
Vc	1.381	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 17«alpha»-Hydroxyprogesterone, 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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