Chemical Properties of Propanoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester (CAS 17596-96-2)

InChI

InChI=1S/C9H22O3Si2/c1-8(11-13(2,3)4)9(10)12-14(5,6)7/h8H,1-7H3

InChI Key

HXRGKEOWDNVHPA-UHFFFAOYSA-N

Formula

C9H22O3Si2

SMILES

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

Molecular Weight¹

234.44

CAS

17596-96-2

Other Names

• Propionic acid, 2-(trimethylsiloxy)-, trimethylsilyl ester
• Bis(trimethylsilyl)lactate
• Lactic acid, bis(trimethylsilyl)oxy-, ester
• 2-Trimethylsilyloxypropionic acid,trimethylsilyl ester
• Trimethylsilyl 2-[(trimethylsilyl)oxy]propanoate
• Lactic acid, bis-TMS
• Lactic acid, di-TMS
• Lactic acid, O,O-TMS
• Lactic acid, (2TMS)
• Lactic acid, TMS
• Lactate, TMS
• Lactic 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	0.4893		Relay (1.0) Calculated Property
ΔfG°	-357.34	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-882.23	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	54.39	kJ/mol	Relay (1.0) Calculated Property
IE	9.87	eV	Relay (1.0) Calculated Property
log10WS	-0.61		Relay (1.0) Calculated Property
logPoct/wat	2.604		Crippen Calculated Property
Pc	1469.77	kPa	Relay (1.0-beta) Calculated Property
Inp	[1057.00; 1086.00]
Inp	1068.00		NIST
Inp	1060.00		NIST
Inp	1057.00		NIST
Inp	1061.00		NIST
Inp	1065.00		NIST
Inp	1064.00		NIST
Inp	1066.00		NIST
Inp	1059.00		NIST
Inp	1066.00		NIST
Inp	1066.00		NIST
Inp	1058.00		NIST
Inp	1065.00		NIST
Inp	Outlier 1086.00		NIST
Inp	1057.00		NIST
Inp	1061.00		NIST
Inp	1058.00		NIST
Inp	1067.00		NIST
Inp	1067.00		NIST
Inp	1066.00		NIST
Inp	1066.00		NIST
Inp	1065.00		NIST
Inp	1058.00		NIST
Inp	1066.00		NIST
Inp	1066.00		NIST
Inp	1068.00		NIST
Inp	1064.00		NIST
Inp	1058.00		NIST
Inp	Outlier 1086.00		NIST
Tboil	442.57	K	Relay (1.0) Calculated Property
Tc	607.09	K	Relay (1.0) Calculated Property
Tfus	267.38	K	Relay (1.0) Calculated Property
Vc	0.786	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.