Chemical Properties of Acetoacetic acid, bis(trimethylsilyl)- deriv. (CAS 82326-10-1)

InChI

InChI=1S/C10H22O3Si2/c1-9(12-14(2,3)4)8-10(11)13-15(5,6)7/h8H,1-7H3/b9-8-

InChI Key

VIWVQGUWKULKOS-HJWRWDBZSA-N

Formula

C10H22O3Si2

SMILES

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

Molecular Weight¹

246.45

CAS

82326-10-1

Other Names

• Acetoacetic acid, di(trimethylsilyl) deriv.
• Acetoacetic acid, bis(trimethylsilyl)-
• Trimethylsilyl 3-[(trimethylsilyl)oxy]-2-butenoate
• 3-Ketobutyric acid, enol, di-TMS
• Acetoacetic acid, bis-TMS
• Acetoacetic acid, diTMS
• Acetoacetic acid, (2TMS)
• Acetoacetic acid, TMS
• 3-Ketobutyric acid, enol, di-TMS, #2
• 3-Ketobutyric acid, enol, di-TMS, #1

• 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	0.5242		Relay (1.0) Calculated Property
ΔfG°	-306.72	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-858.50	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	60.77	kJ/mol	Relay (1.0) Calculated Property
IE	9.50	eV	Relay (1.0) Calculated Property
log10WS	-1.94		Relay (1.0) Calculated Property
logPoct/wat	3.120		Crippen Calculated Property
Pc	1483.39	kPa	Relay (1.0-beta) Calculated Property
Inp	[1200.00; 1255.00]
Inp	1249.00		NIST
Inp	1207.00		NIST
Inp	1254.00		NIST
Inp	1213.00		NIST
Inp	1255.00		NIST
Inp	1204.00		NIST
Inp	1243.00		NIST
Inp	1200.00		NIST
Inp	1240.00		NIST
Inp	1204.00		NIST
Inp	1243.00		NIST
Inp	1221.00		NIST
Inp	1249.00		NIST
Inp	1204.00		NIST
Inp	1221.00		NIST
Tboil	480.68	K	Relay (1.0) Calculated Property
Tc	645.15	K	Relay (1.0) Calculated Property
Tfus	269.04	K	Relay (1.0) Calculated Property
Vc	0.818	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Acetoacetic acid, bis(trimethylsilyl)- deriv..

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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