Chemical Properties of Benzenethiol, 4-(1,1-dimethylethyl)-2-methyl- (CAS 15570-10-2)

Benzenethiol, 4-(1,1-dimethylethyl)-2-methyl-

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C11H16S/c1-8-7-9(11(2,3)4)5-6-10(8)12/h5-7,12H,1-4H3
InChI Key
DUZJXKYBSMFDIU-UHFFFAOYSA-N
Formula
C11H16S
SMILES
Cc1cc(C(C)(C)C)ccc1S
Molecular Weight1
180.31
CAS
15570-10-2
Other Names
  • 4-tert-Butyl-2-Methylthiophenol
  • 4-tert-Butyl-o-Thiocresol
  • o-Toluenethiol, 4-tert-butyl-
Sources

Physical Properties

Property Value Unit Source
Δf 167.12 kJ/mol Joback Calculated Property
Δfgas -27.05 kJ/mol Joback Calculated Property
Δfus 14.14 kJ/mol Joback Calculated Property
Δvap 49.12 kJ/mol Joback Calculated Property
logPoct/wat 3.58 Crippen Calculated Property
Pc 2799.47 kPa Joback Calculated Property
Tboil 547.35 K Joback Calculated Property
Tc 787.39 K Joback Calculated Property
Tfus 304.07 K Joback Calculated Property
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 356.43 J/mol×K 547.35 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 3
-CH3 4
>C< 1
=CH- (ring) 3
-SH 1

Similar Compounds

2,4-Di-tert-butylthiophenol. Benzene, 1-(1,1-dimethylethyl)-3-methyl-. Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-. 4-Isopropylthiophenol. 2-Tert-butylthiophenol. Benzene, 1,3-bis(1,1-dimethylethyl)-. Benzene, 1-(1,1-dimethylethyl)-3-ethyl-. 1-ISOPROPYL-3-TERT-BUTYLBENZENE. Benzene, 1,3,5-tri-tert-butyl-. Benzene, 1-(1,1-dimethylethyl)-3-ethyl-5-methyl-. 1,3-di-(t-C4H9)-5-CH3-C6H3. 2,4-Dimethylthiophenol. Benzenethiol, o-isopropyl-. 4-t-Butyl-o-xylene. 1-Methyl-3-iso-propylbenzene.

Find more compounds similar to Benzenethiol, 4-(1,1-dimethylethyl)-2-methyl-.

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.