Chemical Properties of «alpha»-Spinasterol, TMS

InChI

InChI=1S/C32H56OSi/c1-10-24(22(2)3)12-11-23(4)28-15-16-29-27-14-13-25-21-26(33-34(7,8)9)17-19-31(25,5)30(27)18-20-32(28,29)6/h11-12,14,22-26,28-30H,10,13,15-21H2,1-9H3/b12-11-/t23-,24?,25+,26+,28?,29+,30+,31+,32-/m0/s1

InChI Key

LBGZUHCDCMFERE-HTUMUVTISA-N

Formula

C32H56OSi

SMILES

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

Molecular Weight¹

484.87

• 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.
• 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	0.6065		Relay (1.0) Calculated Property
ΔfG°	273.66	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-615.30	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	116.85	kJ/mol	Relay (1.0) Calculated Property
IE	7.86	eV	Relay (1.0) Calculated Property
log10WS	-8.32		Relay (1.0) Calculated Property
logPoct/wat	9.660		Crippen Calculated Property
Pc	-95.08	kPa	Relay (1.0-beta) Calculated Property
Inp	[3325.00; 3325.00]
Inp	3325.00		NIST
Inp	3325.00		NIST
Tboil	702.65	K	Relay (1.0) Calculated Property
Tc	956.04	K	Relay (1.0) Calculated Property
Tfus	397.42	K	Relay (1.0) Calculated Property
Vc	1.575	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Spinasterol, 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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