Chemical Properties of Butanoic acid, 2-methyl-2-[(trimethylsilyl)oxy]-, trimethylsilyl ester (CAS 55557-18-1)

InChI

InChI=1S/C11H26O3Si2/c1-9-11(2,14-16(6,7)8)10(12)13-15(3,4)5/h9H2,1-8H3

InChI Key

PQXMCGRVSCUUKA-UHFFFAOYSA-N

Formula

C11H26O3Si2

SMILES

CCC(C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C

Molecular Weight¹

262.49

CAS

55557-18-1

Other Names

• 2-Methyl-2-trimethylsiloxy(trimethylsilyl)butyrate
• 2-Hydroxy-2-methylbutyric acid, 2tms derivative

• 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	0.5202		Relay (1.0) Calculated Property
ΔfG°	-354.10	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-930.70	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	57.28	kJ/mol	Relay (1.0) Calculated Property
IE	9.64	eV	Relay (1.0) Calculated Property
log10WS	-1.63		Relay (1.0) Calculated Property
logPoct/wat	3.385		Crippen Calculated Property
Pc	1298.75	kPa	Relay (1.0-beta) Calculated Property
Inp	[1170.00; 1170.00]
Inp	1170.00		NIST
Inp	1170.00		NIST
Tboil	466.30	K	Relay (1.0) Calculated Property
Tc	636.14	K	Relay (1.0) Calculated Property
Tfus	259.43	K	Relay (1.0) Calculated Property
Vc	0.892	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 2-methyl-2-[(trimethylsilyl)oxy]-, trimethylsilyl ester.

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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