Chemical Properties of (E/Z)-3«beta»-Acetoxytrimethylsilyloxylup-20(29)-ene, # 1

InChI

InChI=1S/C35H60O3Si/c1-23(22-37-39(9,10)11)25-14-17-32(5)20-21-34(7)26(30(25)32)12-13-28-33(6)18-16-29(38-24(2)36)31(3,4)27(33)15-19-35(28,34)8/h22,25-30H,12-21H2,1-11H3/t25-,26?,27?,28?,29-,30?,32+,33-,34+,35+/m1/s1

InChI Key

AUYILGODHYBTPZ-PXTTYMEVSA-N

Formula

C35H60O3Si

SMILES

CC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4C(C(C)=CO[Si](C)(C)C)CCC4(C)CCC23C)C1(C)C

Molecular Weight¹

556.93

• 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.
• 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	0.7101		Relay (1.0) Calculated Property
ΔfG°	27.27	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-965.09	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	142.38	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-7.55		Relay (1.0) Calculated Property
logPoct/wat	9.775		Crippen Calculated Property
Inp	[3570.00; 3660.00]
Inp	3570.00		NIST
Inp	3660.00		NIST
Tboil	735.72	K	Relay (1.0) Calculated Property
Tc	1037.12	K	Relay (1.0) Calculated Property
Tfus	419.84	K	Relay (1.0) Calculated Property
Vc	1.777	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to (E/Z)-3«beta»-Acetoxytrimethylsilyloxylup-20(29)-ene, # 1.

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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