Chemical Properties of LUTEOLIN 4TMS-2

InChI

InChI=1S/C27H42O6Si4/c1-34(2,3)30-20-16-25-27(26(17-20)33-37(10,11)12)21(28)18-23(29-25)19-13-14-22(31-35(4,5)6)24(15-19)32-36(7,8)9/h13-18H,1-12H3

InChI Key

RBBOHYKAQZXRQH-UHFFFAOYSA-N

Formula

C27H42O6Si4

SMILES

C[Si](C)(C)Oc1cc(O[Si](C)(C)C)c2c(=O)cc(-c3ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c3)oc2c1

Molecular Weight¹

574.96

• 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	1.0716		Relay (1.0) Calculated Property
ΔfG°	-334.54	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1242.97	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	115.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.24	eV	Relay (1.0) Calculated Property
log10WS	-6.86		Relay (1.0) Calculated Property
logPoct/wat	8.315		Crippen Calculated Property
Inp	[3274.00; 3274.00]
Inp	3274.00		NIST
Inp	3274.00		NIST
Tboil	750.02	K	Relay (1.0) Calculated Property
Tc	1014.45	K	Relay (1.0) Calculated Property
Tfus	409.22	K	Relay (1.0) Calculated Property
Vc	1.788	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to LUTEOLIN 4TMS-2.

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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