Chemical Properties of Thiophene, 2-(1-methylpropyl)thio

InChI

InChI=1S/C8H12S2/c1-3-7(2)10-8-5-4-6-9-8/h4-7H,3H2,1-2H3

InChI Key

MGLRFPVDQZHEOJ-UHFFFAOYSA-N

Formula

C8H12S2

SMILES

CCC(C)Sc1cccs1

Molecular Weight¹

172.31

• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	8.00	eV	Relay (1.0) Calculated Property
logPoct/wat	3.639		Crippen Calculated Property
McVol	136.820	ml/mol	McGowan Calculated Property
Inp	[1241.00; 1260.00]
Inp	1250.00		NIST
Inp	1255.00		NIST
Inp	1260.00		NIST
Inp	1246.00		NIST
Inp	1241.00		NIST
Inp	1248.00		NIST
Inp	1246.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, 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 Thiophene, 2-(1-methylpropyl)thio.

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
• McGowan 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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