Chemical Properties of «alpha»-Amyrin, trimethylsilyl ether

InChI

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

InChI Key

WTQGCUIIGTXDIX-UHFFFAOYSA-N

Formula

C33H58OSi

SMILES

CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O[Si](C)(C)C)C(C)(C)C5CCC43C)C2C1C

Molecular Weight¹

498.90

• 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	0.5747		Relay (1.0) Calculated Property
ΔfG°	240.58	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-631.85	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	122.67	kJ/mol	Relay (1.0) Calculated Property
IE	7.97	eV	Relay (1.0) Calculated Property
log10WS	-8.09		Relay (1.0) Calculated Property
logPoct/wat	9.884		Crippen Calculated Property
Pc	35.59	kPa	Relay (1.0-beta) Calculated Property
Inp	[3382.00; 3429.00]
Inp	3429.00		NIST
Inp	3382.00		NIST
Tboil	710.70	K	Relay (1.0) Calculated Property
Tc	988.99	K	Relay (1.0) Calculated Property
Tfus	428.63	K	Relay (1.0) Calculated Property
Vc	1.663	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-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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