Chemical Properties of Diacetyl sulphide (CAS 3232-39-1)

Diacetyl sulphide

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InChI
InChI=1S/C4H6O2S/c1-3(5)7-4(2)6/h1-2H3
InChI Key
DPCQJLQPDJPRCM-UHFFFAOYSA-N
Formula
C4H6O2S
SMILES
CC(=O)SC(C)=O
Molecular Weight1
118.15
CAS
3232-39-1
Other Names
  • (CH3CO)2S
  • 1,1'-Thiobis-(ethane-1-one)
  • Acetyl sulfide
  • Ethanethioic acid, anhydrosulfide
  • acetic thioanhydride
Sources

Physical Properties

Property Value Unit Source
Δf -241.92 kJ/mol Joback Calculated Property
Δfgas -317.00 ± 10.00 kJ/mol NIST
Δfus 13.44 kJ/mol Joback Calculated Property
Δvap 44.81 kJ/mol Joback Calculated Property
logPoct/wat 0.81 Crippen Calculated Property
Pc 4697.74 kPa Joback Calculated Property
Tboil 392.70 K NIST
Tc 684.84 K Joback Calculated Property
Tfus 269.10 K Joback Calculated Property
Vc 0.33 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 157.86 J/mol×K 467.44 Joback Calculated Property
ΔvapH 54.20 kJ/mol 340.0 NIST
ΔvapH 50.90 kJ/mol 340.0 NIST

Molecular Descriptors

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

Similar Compounds

s-Ethyl thioacetate. Ethanethioic acid, s-methyl ester. Ethanethioic acid, s-(1-methylethyl) ester. Acetic acid, thio-, s-2-bromoethyl ester. Ethanethioic acid, s-propyl ester. 2-Aminoethyl thiolacetate hydrochloride. allyl thioacetate. s-Ethyl thiopropionate. Ethyl thioformate. t-Butyl thiolacetate. Propanethioic acid, S-propyl ester. Butyl thiolacetate. Ethanethioic acid, S-(2-methylpropyl) ester. S-methyl propanethioate. Ethanethioic acid, (methylthio)-s-ethyl ester.

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