Chemical Properties of 1-(Methylthio)-3-pentanone (CAS 66735-69-1)

1-(Methylthio)-3-pentanone

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InChI
InChI=1S/C6H12OS/c1-3-6(7)4-5-8-2/h3-5H2,1-2H3
InChI Key
LEZZIANNWFYCND-UHFFFAOYSA-N
Formula
C6H12OS
SMILES
CCC(=O)CCSC
Molecular Weight1
132.22
CAS
66735-69-1
Other Names
  • 1-(Methylthio)pentan-3-one
  • 3-Pentanone, 1-(methylthio)-
Sources

Physical Properties

Property Value Unit Source
Δf -96.16 kJ/mol Joback Calculated Property
Δfgas -237.88 kJ/mol Joback Calculated Property
Δfus 17.02 kJ/mol Joback Calculated Property
Δvap 42.51 kJ/mol Joback Calculated Property
logPoct/wat 1.72 Crippen Calculated Property
Pc 3403.91 kPa Joback Calculated Property
Tboil 459.33 K Joback Calculated Property
Tc 660.04 K Joback Calculated Property
Tfus 241.71 K Joback Calculated Property
Vc 0.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 223.40 J/mol×K 459.33 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CH2- 3
>C=O (nonring) 1
-S- 1
-CH3 2

Similar Compounds

4H-Thiopyran-4-one, tetrahydro-. 2-Butanone, 4-(methylthio)-. 4-Methylthio-2-butanone. 1-mercaptopentan-3-one. 1-Sulfanylpentan-3-one. 1-Mercapto-3-pentanone. 1-Mercaptopentan-3-one. 3-Octanone, 1-methylthio. 4-(methylthio)-2-butanone. 1-Mercaptobutan-3-one. 1-mercaptobutan-3-one. Pentane, 1-(methylthio)-. Dihydro-3-(2H)-thiophenone. Propanal, 3-(methylthio)-. Pentane, 1,5-bis(methylthio)-.

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