Chemical Properties of 1,8-Dihydroxy-6-methoxy-3-methylanthraquinone, O,O'-bis(trimehylsilyl) (CAS 7336-75-6)

InChI

InChI=1S/C22H28O5Si2/c1-13-9-15-19(17(10-13)26-28(3,4)5)22(24)20-16(21(15)23)11-14(25-2)12-18(20)27-29(6,7)8/h9-12H,1-8H3

InChI Key

KTQHHXYXDHXNHO-UHFFFAOYSA-N

Formula

C22H28O5Si2

SMILES

COc1cc(O[Si](C)(C)C)c2c(c1)C(=O)c1cc(C)cc(O[Si](C)(C)C)c1C2=O

Molecular Weight¹

428.63

CAS

7336-75-6

Other Names

• 3-Methoxy-6-methyl-1,8-bis[(trimethylsilyl)oxy]anthra-9,10-quinone
• Anthraquinone, 1,8-dihydroxy-6-methoxy-3-methyl, bis-TMS
• Anthraquinone, 1,8-dihydroxy-6-methoxy-3-methyl, TMS
• Physcion, TMS

• 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	0.9512		Relay (1.0) Calculated Property
ΔfG°	-394.63	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-881.55	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	98.51	kJ/mol	Relay (1.0) Calculated Property
IE	8.30	eV	Relay (1.0) Calculated Property
log10WS	-6.28		Relay (1.0) Calculated Property
logPoct/wat	5.206		Crippen Calculated Property
Pc	325.01	kPa	Relay (1.0-beta) Calculated Property
Inp	[2836.00; 2836.00]
Inp	2836.00		NIST
Inp	2836.00		NIST
Tboil	707.09	K	Relay (1.0) Calculated Property
Tc	993.24	K	Relay (1.0) Calculated Property
Tfus	400.38	K	Relay (1.0) Calculated Property
Vc	1.274	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1,8-Dihydroxy-6-methoxy-3-methylanthraquinone, O,O'-bis(trimehylsilyl).

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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