Chemical Properties of 5,6«alpha»-epoxystigmasterol, TMS

InChI

InChI=1S/C32H56O2Si/c1-10-23(21(2)3)12-11-22(4)26-13-14-27-25-19-29-32(33-29)20-24(34-35(7,8)9)15-18-31(32,6)28(25)16-17-30(26,27)5/h11-12,21-29H,10,13-20H2,1-9H3/b12-11+/t22-,23-,24+,25?,26-,27?,28?,29+,30-,31-,32+/m0/s1

InChI Key

CBLBSCDLFZTIRL-KZSMCDQQSA-N

Formula

C32H56O2Si

SMILES

CCC(C=CC(C)C1CCC2C3CC4OC45CC(O[Si](C)(C)C)CCC5(C)C3CCC12C)C(C)C

Molecular Weight¹

500.87

• 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.
• 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	0.6491		Relay (1.0) Calculated Property
ΔfG°	139.77	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-730.05	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	122.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-7.72		Relay (1.0) Calculated Property
logPoct/wat	8.871		Crippen Calculated Property
Inp	[3361.00; 3361.00]
Inp	3361.00		NIST
Inp	3361.00		NIST
Tboil	701.59	K	Relay (1.0) Calculated Property
Tc	978.34	K	Relay (1.0) Calculated Property
Tfus	418.05	K	Relay (1.0) Calculated Property
Vc	1.637	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 5,6«alpha»-epoxystigmasterol, 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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