Chemical Properties of Benzoic acid, 4-[(trimethylsilyl)oxy]-, trimethylsilyl ester

InChI

InChI=1S/C13H22O3Si2/c1-17(2,3)15-12-9-7-11(8-10-12)13(14)16-18(4,5)6/h7-10H,1-6H3

InChI Key

XVCXIVAVMFNKDH-UHFFFAOYSA-N

Formula

C13H22O3Si2

SMILES

C[Si](C)(C)OC(=O)c1ccc(O[Si](C)(C)C)cc1

Molecular Weight¹

282.49

• 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.
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-750.74	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	70.28	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
log10WS	-3.49		Relay (1.0) Calculated Property
logPoct/wat	3.892		Crippen Calculated Property
Inp	[1618.00; 1637.00]
Inp	1628.60		NIST
Inp	1629.00		NIST
Inp	1637.00		NIST
Inp	1621.00		NIST
Inp	1618.00		NIST
Inp	1636.00		NIST
Inp	1621.00		NIST
Inp	1637.00		NIST
Inp	1637.00		NIST
Inp	1622.00		NIST
Inp	1622.00		NIST
Inp	1624.00		NIST
Inp	1620.50		NIST
Inp	1622.00		NIST
Inp	1622.00		NIST
Inp	1637.00		NIST
Inp	1635.00		NIST
Inp	1634.00		NIST
Inp	1620.00		NIST
Inp	1620.50		NIST
Inp	1628.60		NIST
Inp	1636.00		NIST
Inp	1622.00		NIST
Tboil	557.80	K	Relay (1.0) Calculated Property
Tfus	334.04	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Benzoic acid, 4-[(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.