Chemical Properties of 3-Methylvaleric acid, TMS

InChI

InChI=1S/C9H20O2Si/c1-6-8(2)7-9(10)11-12(3,4)5/h8H,6-7H2,1-5H3

InChI Key

HYPLBXPWARHOLR-UHFFFAOYSA-N

Formula

C9H20O2Si

SMILES

CCC(C)CC(=O)O[Si](C)(C)C

Molecular Weight¹

188.34

• 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
logPoct/wat	2.801		Crippen Calculated Property
Inp	[1025.20; 1059.00]
Inp	1025.20		NIST
Inp	1059.00		NIST
Tboil	421.66	K	Relay (1.0) Calculated Property
Tfus	189.63	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 3-Methylvaleric acid, 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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