Chemical Properties of 5,16-Androstadien-3-«beta»-ol, TMS

InChI

InChI=1S/C22H36OSi/c1-21-12-6-7-19(21)18-9-8-16-15-17(23-24(3,4)5)10-14-22(16,2)20(18)11-13-21/h6,8,12,17-20H,7,9-11,13-15H2,1-5H3/t17-,18?,19?,20?,21-,22-/m1/s1

InChI Key

FTYHXXDHCTYORJ-KJINREDQSA-N

Formula

C22H36OSi

SMILES

CC12C=CCC1C1CC=C3CC(O[Si](C)(C)C)CCC3(C)C1CC2

Molecular Weight¹

344.61

• 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	0.4379		Relay (1.0) Calculated Property
ΔfG°	223.68	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-389.80	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	95.49	kJ/mol	Relay (1.0) Calculated Property
IE	8.45	eV	Relay (1.0) Calculated Property
log10WS	-5.97		Relay (1.0) Calculated Property
logPoct/wat	6.335		Crippen Calculated Property
Pc	747.45	kPa	Relay (1.0-beta) Calculated Property
Inp	[2240.00; 2240.00]
Inp	2240.00		NIST
Inp	2240.00		NIST
Tboil	623.85	K	Relay (1.0) Calculated Property
Tc	861.66	K	Relay (1.0) Calculated Property
Tfus	375.86	K	Relay (1.0) Calculated Property
Vc	1.106	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 5,16-Androstadien-3-«beta»-ol, 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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