Chemical Properties of Chavicol TMS (CAS 218618-79-2)

InChI

InChI=1S/C12H18OSi/c1-5-6-11-7-9-12(10-8-11)13-14(2,3)4/h5,7-10H,1,6H2,2-4H3

InChI Key

LXMWEQRAJHXKBM-UHFFFAOYSA-N

Formula

C12H18OSi

SMILES

C=CCc1ccc(O[Si](C)(C)C)cc1

Molecular Weight¹

206.36

CAS

218618-79-2

• 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°	57.60	kJ/mol	Relay (1.0) Calculated Property
IE	8.47	eV	Relay (1.0) Calculated Property
log10WS	-3.26		Relay (1.0) Calculated Property
logPoct/wat	3.629		Crippen Calculated Property
Inp	[1320.60; 1320.60]
Inp	1320.60		NIST
Inp	1320.60		NIST
Tboil	515.50	K	Relay (1.0) Calculated Property
Tfus	252.59	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 Chavicol TMS.

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.
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