Chemical Properties of 4-METHOXYPHENYLPYRUVIC ACID DITMS

InChI

InChI=1S/C16H26O4Si2/c1-18-14-10-8-13(9-11-14)12-15(19-21(2,3)4)16(17)20-22(5,6)7/h8-12H,1-7H3/b15-12+

InChI Key

IAKVNQLFHQCXOF-NTCAYCPXSA-N

Formula

C16H26O4Si2

SMILES

COc1ccc(/C=C(/O[Si](C)(C)C)C(=O)O[Si](C)(C)C)cc1

Molecular Weight¹

338.55

Other Names

• 4-Methoxyphenylpyruvic acid, di-TMS
• Phenylpyruvic acid, 4-methoxy, TMS

• 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
ΔvapH°	79.15	kJ/mol	Relay (1.0) Calculated Property
IE	7.95	eV	Relay (1.0) Calculated Property
log10WS	-3.93		Relay (1.0) Calculated Property
logPoct/wat	4.266		Crippen Calculated Property
Inp	[1953.00; 1953.00]
Inp	1953.00		NIST
Inp	1953.00		NIST
Tboil	616.12	K	Relay (1.0) Calculated Property
Tfus	349.02	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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 4-METHOXYPHENYLPYRUVIC ACID DITMS.

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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