Chemical Properties of 4-Methyl-2-methoxyphenol, TMS ether

InChI

InChI=1S/C11H18O2Si/c1-9-6-7-10(11(8-9)12-2)13-14(3,4)5/h6-8H,1-5H3

InChI Key

ABIZNMPLNOLLOL-UHFFFAOYSA-N

Formula

C11H18O2Si

SMILES

COc1cc(C)ccc1O[Si](C)(C)C

Molecular Weight¹

210.35

Other Names

• 2-Methoxy-4-methylphenol, TMS

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-428.82	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	61.27	kJ/mol	Relay (1.0) Calculated Property
IE	8.09	eV	Relay (1.0) Calculated Property
logPoct/wat	3.217		Crippen Calculated Property
Inp	[1312.00; 1312.00]
Inp	1312.00		NIST
Inp	1312.00		NIST
Tboil	513.30	K	Relay (1.0) Calculated Property
Tc	700.60	K	Relay (1.0) Calculated Property
Tfus	289.66	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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-Methyl-2-methoxyphenol, TMS ether.

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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