Chemical Properties of Propanoic acid, 2-methyl-3-[(trimethylsilyl)oxy]-, trimethylsilyl ester (CAS 55530-42-2)

InChI

InChI=1S/C10H24O3Si2/c1-9(8-12-14(2,3)4)10(11)13-15(5,6)7/h9H,8H2,1-7H3

InChI Key

ZLXJWFWIINAYRS-UHFFFAOYSA-N

Formula

C10H24O3Si2

SMILES

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

Molecular Weight¹

248.47

CAS

55530-42-2

Other Names

• Isobutyric acid, 3-trimethylsilyloxy-trimethylsilyl ester
• 3-Hydroxyisobutyric acid, diTMS
• Isobutyric acid, 3-hydroxy, di-TMS
• 3-Hydroxyisobutanoic acid, bis-TMS

• 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	0.5284		Relay (1.0) Calculated Property
ΔfG°	-344.50	kJ/mol	Relay (1.0-beta) Calculated Property ⚠️
ΔfH°gas	-907.51	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	56.33	kJ/mol	Relay (1.0) Calculated Property
IE	9.98	eV	Relay (1.0) Calculated Property
log10WS	-1.23		Relay (1.0) Calculated Property
logPoct/wat	2.852		Crippen Calculated Property
Pc	1401.47	kPa	Relay (1.0-beta) Calculated Property ⚠️
Inp	[1150.00; 1170.00]
Inp	1160.00		NIST
Inp	1164.00		NIST
Inp	Outlier 1150.00		NIST
Inp	1164.00		NIST
Inp	1166.00		NIST
Inp	1167.00		NIST
Inp	1170.00		NIST
Inp	1163.00		NIST
Inp	1163.00		NIST
Inp	1170.00		NIST
Tboil	463.31	K	Relay (1.0) Calculated Property
Tc	632.62	K	Relay (1.0) Calculated Property
Tfus	237.11	K	Relay (1.0) Calculated Property
Vc	0.833	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 2-methyl-3-[(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.