Chemical Properties of 4-Methyl-2-(3,7,11-Trimethyldodecyl) thiophene

InChI

InChI=1S/C20H36S/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-20-14-19(5)15-21-20/h14-18H,6-13H2,1-5H3

InChI Key

UXJJRGIAVJTECT-UHFFFAOYSA-N

Formula

C20H36S

SMILES

Cc1csc(CCC(C)CCCC(C)CCCC(C)C)c1

Molecular Weight¹

308.56

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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	7.258		Crippen Calculated Property
McVol	289.550	ml/mol	McGowan Calculated Property
Pc	1258.87	kPa	Relay (1.0-beta) Calculated Property
Inp	[2110.00; 2144.00]
Inp	2110.00		NIST
Inp	2144.00		NIST
Inp	2110.00		NIST
Tboil	615.19	K	Relay (1.0) Calculated Property
Tfus	248.77	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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 4-Methyl-2-(3,7,11-Trimethyldodecyl) thiophene.

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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