Chemical Properties of 1-Mercaptopentan-3-one

1-Mercaptopentan-3-one

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InChI
InChI=1S/C5H10OS/c1-2-5(6)3-4-7/h7H,2-4H2,1H3
InChI Key
ORZNCWCHFKUYAZ-UHFFFAOYSA-N
Formula
C5H10OS
SMILES
CCC(=O)CCS
Molecular Weight1
118.20
Sources

Physical Properties

Property Value Unit Source
Δf -108.31 kJ/mol Joback Calculated Property
Δfgas -220.63 kJ/mol Joback Calculated Property
Δfus 14.35 kJ/mol Joback Calculated Property
Δvap 40.21 kJ/mol Joback Calculated Property
logPoct/wat 1.29 Crippen Calculated Property
Pc 4051.80 kPa Joback Calculated Property
Tboil 430.53 K Joback Calculated Property
Tc 633.63 K Joback Calculated Property
Tfus 232.50 K Joback Calculated Property
Vc 0.38 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 183.33 J/mol×K 430.53 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

1-Mercapto-3-pentanone. 1-mercaptopentan-3-one. 1-Sulfanylpentan-3-one. 1-mercaptobutan-3-one. 1-Mercaptobutan-3-one. 1-(Methylthio)-3-pentanone. 5-Mercapto-2-pentanone. 5-mercaptohexan-3-one. 5-Mercaptohexan-3-one. 4H-Thiopyran-4-one, tetrahydro-. 4-Mercaptopentan-2-one. 4-mercaptopentan-2-ol. 4-Methylthio-2-butanone. 2-Butanone, 4-(methylthio)-. 6-Mercapto-2-hexanone.

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