Chemical Properties of «beta»-Amyrin trimethylsilyl ether (CAS 1721-67-1)

InChI

InChI=1S/C33H58OSi/c1-28(2)18-19-30(5)20-21-32(7)23(24(30)22-28)12-13-26-31(6)16-15-27(34-35(9,10)11)29(3,4)25(31)14-17-33(26,32)8/h12,24-27H,13-22H2,1-11H3

InChI Key

DTNMLCLEKOLKGE-UHFFFAOYSA-N

Formula

C33H58OSi

SMILES

CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(C)C5CCC43C)C2C1

Molecular Weight¹

498.90

CAS

1721-67-1

Other Names

• Silane, trimethyl[[(3«beta»)-olean-12-en-3-yl]oxy]-
• Silane, trimethyl(olean-12-en-3«beta»-yloxy)-
• «beta»-Amyrin, TMS
• 3-[(Trimethylsilyl)oxy]olean-12-ene
• «BETA»-amyrin, tms derivative

• 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	0.5836		Relay (... Calculated Property
ΔfG°	233.15	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-631.72	kJ/mol	Relay (... Calculated Property
ΔvapH°	122.28	kJ/mol	Relay (... Calculated Property
IE	8.15	eV	Relay (... Calculated Property
log10WS	-8.12		Relay (... Calculated Property
logPoct/wat	10.028		Crippen Calculated Property
Pc	59.40	kPa	Relay (... Calculated Property ⚠️
Inp	[3348.00; 3385.00]
Inp	3348.00		NIST
Inp	3385.00		NIST
Inp	3348.00		NIST
Tboil	710.51	K	Relay (... Calculated Property
Tc	987.40	K	Relay (... Calculated Property
Tfus	436.94	K	Relay (... Calculated Property
Vc	1.686	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Amyrin trimethylsilyl 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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