Chemical Properties of 4H-Pyran-4-one, 5-[(trimethylsilyl)oxy]-2-[[(trimethylsilyl)oxy]methyl]- (CAS 55557-21-6)

InChI

InChI=1S/C12H22O4Si2/c1-17(2,3)15-8-10-7-11(13)12(9-14-10)16-18(4,5)6/h7,9H,8H2,1-6H3

InChI Key

YBZFOZISWWXREG-UHFFFAOYSA-N

Formula

C12H22O4Si2

SMILES

C[Si](C)(C)OCc1cc(=O)c(O[Si](C)(C)C)co1

Molecular Weight¹

286.47

CAS

55557-21-6

Other Names

• 5-((Trimethylsilyl)oxy)-2-(((trimethylsilyl)oxy)methyl)-4H-pyran-4-one

• 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	0.6329		Relay (1.0) Calculated Property
ΔfG°	-302.73	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-779.27	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	75.32	kJ/mol	Relay (1.0) Calculated Property
IE	9.02	eV	Relay (1.0) Calculated Property
log10WS	-1.66		Relay (1.0) Calculated Property
logPoct/wat	3.205		Crippen Calculated Property
Pc	1344.86	kPa	Relay (1.0-beta) Calculated Property
Inp	[1686.20; 1686.20]
Inp	1686.20		NIST
Inp	1686.20		NIST
Tboil	558.84	K	Relay (1.0) Calculated Property
Tc	735.94	K	Relay (1.0) Calculated Property
Tfus	345.15	K	Relay (1.0) Calculated Property
Vc	0.894	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 4H-Pyran-4-one, 5-[(trimethylsilyl)oxy]-2-[[(trimethylsilyl)oxy]methyl]-.

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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