Chemical Properties of trans-Dehydroandrosterone, picolinyloxydimethylsilyl ether

InChI

InChI=1S/C27H39NO3Si/c1-26-13-11-21(31-32(3,4)30-18-19-6-5-15-28-17-19)16-20(26)7-8-22-23-9-10-25(29)27(23,2)14-12-24(22)26/h5-7,15,17,21-24H,8-14,16,18H2,1-4H3

InChI Key

CHLYURRBCUAVER-UHFFFAOYSA-N

Formula

C27H39NO3Si

SMILES

CC12CCC3C(CC=C4CC(O[Si](C)(C)OCc5cccnc5)CCC43C)C1CCC2=O

Molecular Weight¹

453.69

• 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	0.6678		Relay (... Calculated Property
ΔfG°	144.88	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-555.11	kJ/mol	Relay (... Calculated Property
ΔvapH°	129.30	kJ/mol	Relay (... Calculated Property
IE	8.72	eV	Relay (... Calculated Property
log10WS	-4.83		Relay (... Calculated Property
logPoct/wat	6.217		Crippen Calculated Property
Pc	473.46	kPa	Relay (... Calculated Property ⚠️
Inp	[3520.80; 3520.80]
Inp	3520.80		NIST
Inp	3520.80		NIST
Tboil	716.89	K	Relay (... Calculated Property
Tc	1031.90	K	Relay (... Calculated Property
Tfus	392.91	K	Relay (... Calculated Property
Vc	1.356	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to trans-Dehydroandrosterone, picolinyloxydimethylsilyl 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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