Chemical Properties of Silane, [[(3«beta»,22E)-ergosta-7,22-dien-3-yl]oxy]trimethyl- (CAS 55527-93-0)

InChI

InChI=1S/C31H54OSi/c1-21(2)22(3)10-11-23(4)27-14-15-28-26-13-12-24-20-25(32-33(7,8)9)16-18-30(24,5)29(26)17-19-31(27,28)6/h10-11,13,21-25,27-29H,12,14-20H2,1-9H3/b11-10+/t22-,23-,24?,25+,27-,28+,29+,30+,31-/m0/s1

InChI Key

ZXRQCPSIQBIRFY-ZASWXHFGSA-N

Formula

C31H54OSi

SMILES

CC(C)C(C)C=CC(C)C1CCC2C3=CCC4CC(O[Si](C)(C)C)CCC4(C)C3CCC21C

Molecular Weight¹

470.85

CAS

55527-93-0

Other Names

• Ergosta-7,22-dien-3«beta»-ol, 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	0.5809		Relay (1.0) Calculated Property
ΔfG°	269.38	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-594.56	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	114.17	kJ/mol	Relay (1.0) Calculated Property
IE	7.94	eV	Relay (1.0) Calculated Property
log10WS	-8.08		Relay (1.0) Calculated Property
logPoct/wat	9.270		Crippen Calculated Property
Pc	18.85	kPa	Relay (1.0-beta) Calculated Property
Inp	[3203.00; 3203.00]
Inp	3203.00		NIST
Inp	3203.00		NIST
Inp	3203.00		NIST
Tboil	692.78	K	Relay (1.0) Calculated Property
Tc	946.94	K	Relay (1.0) Calculated Property
Tfus	402.33	K	Relay (1.0) Calculated Property
Vc	1.530	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Silane, [[(3«beta»,22E)-ergosta-7,22-dien-3-yl]oxy]trimethyl-.

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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