Chemical Properties of Torosachrysone, TMS

InChI

InChI=1S/C25H40O5Si3/c1-25(30-33(9,10)11)15-18-12-17-13-19(27-2)14-21(28-31(3,4)5)23(17)24(29-32(6,7)8)22(18)20(26)16-25/h12-14H,15-16H2,1-11H3

InChI Key

VZUCNBHFJUCYIC-UHFFFAOYSA-N

Formula

C25H40O5Si3

SMILES

COc1cc(O[Si](C)(C)C)c2c(O[Si](C)(C)C)c3c(cc2c1)CC(C)(O[Si](C)(C)C)CC3=O

Molecular Weight¹

504.84

• 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	0.9516		Relay (1.0) Calculated Property
ΔfG°	-304.51	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1086.37	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	101.13	kJ/mol	Relay (1.0) Calculated Property
IE	8.00	eV	Relay (1.0) Calculated Property
log10WS	-5.42		Relay (1.0) Calculated Property
logPoct/wat	7.015		Crippen Calculated Property
Inp	[2699.00; 2699.00]
Inp	2699.00		NIST
Inp	2699.00		NIST
Tboil	720.59	K	Relay (1.0) Calculated Property
Tc	980.08	K	Relay (1.0) Calculated Property
Tfus	375.38	K	Relay (1.0) Calculated Property
Vc	1.575	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Torosachrysone, 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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