Chemical Properties of Cyclohexasiloxane, dodecamethyl- (CAS 540-97-6)

InChI

InChI=1S/C12H36O6Si6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h1-12H3

InChI Key

IUMSDRXLFWAGNT-UHFFFAOYSA-N

Formula

C12H36O6Si6

SMILES

C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1

Molecular Weight¹

444.92

CAS

540-97-6

Other Names

• Dodecamethylcyclohexasiloxane

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor 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	0.5498		Relay (1.0) Calculated Property
ΔfG°	-463.75	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1870.87	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	65.66	kJ/mol	Relay (1.0) Calculated Property
IE	9.57	eV	Relay (1.0) Calculated Property
log10WS	-2.73		Relay (1.0) Calculated Property
logPoct/wat	4.310		Crippen Calculated Property
Pc	515.84	kPa	Relay (1.0-beta) Calculated Property
Inp	[1339.00; 1363.00]
Inp	1348.00		NIST
Inp	1359.00		NIST
Inp	1342.00		NIST
Inp	1349.90		NIST
Inp	1351.00		NIST
Inp	1346.00		NIST
Inp	1341.00		NIST
Inp	1363.00		NIST
Inp	1348.00		NIST
Inp	1350.00		NIST
Inp	1351.00		NIST
Inp	1353.00		NIST
Inp	1359.00		NIST
Inp	1339.00		NIST
Tboil	509.09	K	Relay (1.0) Calculated Property
Tc	631.94	K	Relay (1.0) Calculated Property
Tfus	270.00 ± 0.10	K	NIST
Vc	1.497	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[28.58; 28.58]	kJ/mol	[269.00; 269.00]
ΔfusH	28.58	kJ/mol	269.00	NIST
ΔfusH	28.58	kJ/mol	269.00	NIST
ΔvapH	[56.10; 62.60]	kJ/mol	[424.50; 471.00]
ΔvapH	62.60	kJ/mol	424.50	NIST
ΔvapH	56.10	kJ/mol	471.00	NIST
Pvap	[0.05; 4.04]	kPa	[338.15; 418.15]
Pvap	0.05	kPa	338.15	Temperature-Dependent Vapor Pressure of Selected Cyclic and Linear Polydimethylsiloxane Oligomers
Pvap	0.10	kPa	348.15	Temperature-Dependent Vapor Pressure of Selected Cyclic and Linear Polydimethylsiloxane Oligomers
Pvap	0.18	kPa	358.15	Temperature-Dependent Vapor Pressure of Selected Cyclic and Linear Polydimethylsiloxane Oligomers
Pvap	0.32	kPa	368.15	Temperature-Dependent Vapor Pressure of Selected Cyclic and Linear Polydimethylsiloxane Oligomers
Pvap	0.56	kPa	378.15	Temperature-Dependent Vapor Pressure of Selected Cyclic and Linear Polydimethylsiloxane Oligomers
Pvap	0.96	kPa	388.15	Temperature-Dependent Vapor Pressure of Selected Cyclic and Linear Polydimethylsiloxane Oligomers
Pvap	1.59	kPa	398.15	Temperature-Dependent Vapor Pressure of Selected Cyclic and Linear Polydimethylsiloxane Oligomers
Pvap	2.56	kPa	408.15	Temperature-Dependent Vapor Pressure of Selected Cyclic and Linear Polydimethylsiloxane Oligomers
Pvap	4.04	kPa	418.15	Temperature-Dependent Vapor Pressure of Selected Cyclic and Linear Polydimethylsiloxane Oligomers

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[386.90; 551.77]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.36467e+01
Coefficient B			-3.65424e+03
Coefficient C			-1.13360e+02
Temperature range, min.			386.90
Temperature range, max.			551.77
Pvap	1.33	kPa	386.90	Calculated Property
Pvap	3.08	kPa	405.22	Calculated Property
Pvap	6.46	kPa	423.54	Calculated Property
Pvap	12.46	kPa	441.86	Calculated Property
Pvap	22.42	kPa	460.18	Calculated Property
Pvap	38.05	kPa	478.49	Calculated Property
Pvap	61.37	kPa	496.81	Calculated Property
Pvap	94.77	kPa	515.13	Calculated Property
Pvap	140.90	kPa	533.45	Calculated Property
Pvap	202.65	kPa	551.77	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexasiloxane, dodecamethyl-.

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
• Temperature-Dependent Vapor Pressure of Selected Cyclic and Linear Polydimethylsiloxane Oligomers
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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