Chemical Properties of 5«beta»-Androstan-7«alpha»,17«alpha»-dimethyl-3«alpha»,17«beta»-diol, TMS

InChI

InChI=1S/C27H52O2Si2/c1-19-17-20-18-21(28-30(5,6)7)11-14-25(20,2)22-12-15-26(3)23(24(19)22)13-16-27(26,4)29-31(8,9)10/h19-24H,11-18H2,1-10H3/t19-,20-,21-,22?,23?,24?,25+,26+,27+/m0/s1

InChI Key

TWYZBBIZYQXGMM-MVCACVFXSA-N

Formula

C27H52O2Si2

SMILES

CC1CC2CC(O[Si](C)(C)C)CCC2(C)C2CCC3(C)C(CCC3(C)O[Si](C)(C)C)C12

Molecular Weight¹

464.87

• 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	0.6005		Relay (... Calculated Property
ΔfG°	46.76	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-852.66	kJ/mol	Relay (... Calculated Property
ΔvapH°	100.28	kJ/mol	Relay (... Calculated Property
IE	8.83	eV	Relay (... Calculated Property
log10WS	-6.63		Relay (... Calculated Property
logPoct/wat	8.105		Crippen Calculated Property
Pc	196.94	kPa	Relay (... Calculated Property ⚠️
Inp	[2725.00; 2725.00]
Inp	2725.00		NIST
Inp	2725.00		NIST
Tboil	667.33	K	Relay (... Calculated Property
Tc	922.63	K	Relay (... Calculated Property
Tfus	389.61	K	Relay (... Calculated Property
Vc	1.551	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 5«beta»-Androstan-7«alpha»,17«alpha»-dimethyl-3«alpha»,17«beta»-diol, 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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