Chemical Properties of Anthralin, tris(trimethylsilyl) ether

InChI

InChI=1S/C23H34O3Si3/c1-27(2,3)24-19-14-10-12-17-16-18-13-11-15-20(25-28(4,5)6)22(18)23(21(17)19)26-29(7,8)9/h10-16H,1-9H3

InChI Key

AVJNPVZJUJAMKN-UHFFFAOYSA-N

Formula

C23H34O3Si3

SMILES

C[Si](C)(C)Oc1cccc2cc3cccc(O[Si](C)(C)C)c3c(O[Si](C)(C)C)c12

Molecular Weight¹

442.77

• 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	0.8459		Relay (... Calculated Property
ΔfG°	-10.52	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-709.52	kJ/mol	Relay (... Calculated Property
ΔvapH°	98.67	kJ/mol	Relay (... Calculated Property
IE	7.65	eV	Relay (... Calculated Property
log10WS	-6.17		Relay (... Calculated Property
logPoct/wat	7.634		Crippen Calculated Property
Pc	127.63	kPa	Relay (... Calculated Property ⚠️
Inp	[2411.00; 2411.00]
Inp	2411.00		NIST
Inp	2411.00		NIST
Tboil	692.96	K	Relay (... Calculated Property
Tc	966.32	K	Relay (... Calculated Property
Tfus	390.84	K	Relay (... Calculated Property
Vc	1.407	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Anthralin, tris(trimethylsilyl) ether.

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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