Chemical Properties of 4-Ethylbenzoic acid, TBDMS

InChI

InChI=1S/C15H24O2Si/c1-7-12-8-10-13(11-9-12)14(16)17-18(5,6)15(2,3)4/h8-11H,7H2,1-6H3

InChI Key

ITFNSLYHICKEBH-UHFFFAOYSA-N

Formula

C15H24O2Si

SMILES

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

Molecular Weight¹

264.44

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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	-537.80	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.411		Crippen Calculated Property
Inp	[1704.00; 1704.00]
Inp	1704.00		NIST
Inp	1704.00		NIST
Tboil	560.87	K	Relay (1.0) Calculated Property
Tfus	287.03	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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-Ethylbenzoic acid, TBDMS.

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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