Chemical Properties of Octaphenylcyclotetrasiloxane (CAS 546-56-5)

InChI

InChI=1S/C48H40O4Si4/c1-9-25-41(26-10-1)53(42-27-11-2-12-28-42)49-54(43-29-13-3-14-30-43,44-31-15-4-16-32-44)51-56(47-37-21-7-22-38-47,48-39-23-8-24-40-48)52-55(50-53,45-33-17-5-18-34-45)46-35-19-6-20-36-46/h1-40H

InChI Key

VSIKJPJINIDELZ-UHFFFAOYSA-N

Formula

C48H40O4Si4

SMILES

c1ccc([Si]2(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O2)cc1

Molecular Weight¹

793.17

CAS

546-56-5

Other Names

• Cyclotetrasiloxane, octaphenyl-
• Octaphenyltetracyclosiloxane
• 1,1,3,3,5,5,7,7-Octaphenylcyclotetrasiloxane
• CO9817
• 2,4,6,8-tetradiphenyl-[1,3,5,7,2,4,6,8]cyclotetrasiloxane

• ω : Acentric Factor.
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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.
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• 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	0.8538		Relay (1.0) Calculated Property
ΔfG°	521.93	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	30.04	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	212.41	kJ/mol	Relay (1.0) Calculated Property
IE	7.75	eV	Relay (1.0) Calculated Property
log10WS	-9.45		Relay (1.0) Calculated Property
logPoct/wat	5.093		Crippen Calculated Property
Inp	[4483.00; 4483.00]
Inp	4483.00		NIST
Inp	4483.00		NIST
S°solid,1 bar	1044.00	J/mol×K	NIST
Tboil	922.00	K	Relay (1.0) Calculated Property
Tc	1483.87	K	Relay (1.0) Calculated Property
Tfus	498.69	K	Relay (1.0) Calculated Property
Vc	2.207	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	932.50	J/mol×K	298.15	NIST
ΔfusH	[1.13; 1.95]	kJ/mol	[473.20; 478.10]
ΔfusH	1.26	kJ/mol	473.20	NIST
ΔfusH	1.13	kJ/mol	475.00	NIST
ΔfusH	1.95	kJ/mol	478.10	NIST

Similar Compounds

Find more compounds similar to Octaphenylcyclotetrasiloxane.

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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