Chemical Properties of 3-Methylbutan-2-yl trimethylsilyl phthalate

InChI

InChI=1S/C16H24O4Si/c1-11(2)12(3)19-15(17)13-9-7-8-10-14(13)16(18)20-21(4,5)6/h7-12H,1-6H3

InChI Key

BPKWWSSFHRDXKM-UHFFFAOYSA-N

Formula

C16H24O4Si

SMILES

CC(C)C(C)OC(=O)c1ccccc1C(=O)O[Si](C)(C)C

Molecular Weight¹

308.44

Other Names

• 1,2-Benzenedicarboxylic acid, 3-methylbutan-2-yl trimethylsilyl ester

• Δ_fH°_gas : Enthalpy of formation 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-878.76	kJ/mol	Relay (1.0) Calculated Property
IE	9.24	eV	Relay (1.0) Calculated Property
log10WS	-3.86		Relay (1.0) Calculated Property
logPoct/wat	3.880		Crippen Calculated Property
Pc	1238.95	kPa	Relay (1.0-beta) Calculated Property
Inp	[1843.00; 1843.00]
Inp	1843.00		NIST
Inp	1843.00		NIST
Tboil	582.88	K	Relay (1.0) Calculated Property
Tfus	270.19	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of vaporization at standard conditions, 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 3-Methylbutan-2-yl trimethylsilyl phthalate.

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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