Chemical Properties of Benzo(b)thiophene-2,3-dione (CAS 493-57-2)

Benzo(b)thiophene-2,3-dione

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InChI
InChI=1S/C8H4O2S/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4H
InChI Key
MHESOLAAORBNPM-UHFFFAOYSA-N
Formula
C8H4O2S
SMILES
O=C1Sc2ccccc2C1=O
Molecular Weight1
164.18
CAS
493-57-2
Other Names
  • Thioisatin
  • Thianaphthenequinone
  • Thionaphthenequinone
  • Thionaphthoquinone
  • 2,3-Dioxo-2,3-dihydrothionaphthene
  • 2,3-Thionaphthenequinone
  • Benzo[b]thiophen-2,3-dion
  • 2,3-Dihydrobenzo[b]thiophen-2,3-dione
  • 2,3-Dioxo-2,3-dihydrobenzo[b]thiophene
  • Benzothiophene-2,3-dione
  • NSC 114478
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Physical Properties

Property Value Unit Source
ΔfG° -17.60 kJ/mol Joback Calculated Property
ΔfH°gas -120.39 kJ/mol Joback Calculated Property
ΔfusH° 9.87 kJ/mol Joback Calculated Property
ΔvapH° 50.87 kJ/mol Joback Calculated Property
IE 9.14 ± 0.05 eV NIST
log10WS -2.13 Crippen Calculated Property
logPoct/wat 1.502 Crippen Calculated Property
McVol 108.450 ml/mol McGowan Calculated Property
Pc 4802.50 kPa Joback Calculated Property
Tboil 608.98 K Joback Calculated Property
Tc 888.41 K Joback Calculated Property
Tfus 460.93 K Joback Calculated Property
Vc 0.394 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [238.60; 294.38] J/mol×K [608.98; 888.41] Show Hide
Cp,gas 238.60 J/mol×K 608.98 Joback Calculated Property
Cp,gas 249.98 J/mol×K 655.55 Joback Calculated Property
Cp,gas 260.54 J/mol×K 702.12 Joback Calculated Property
Cp,gas 270.26 J/mol×K 748.69 Joback Calculated Property
Cp,gas 279.14 J/mol×K 795.27 Joback Calculated Property
Cp,gas 287.18 J/mol×K 841.84 Joback Calculated Property
Cp,gas 294.38 J/mol×K 888.41 Joback Calculated Property

Similar Compounds

Benzoic acid, 2-(acetylthio)-, methyl ester. Benzoic acid, 2-(trifluoroacetylthio)-, methyl ester. Acetic 2-(acetylsulfanyl)benzoic anhydride. Benzoic acid, 2-acetylthio-, trimethylsilyl ester. 4H-1-Benzothiopyran-4-one, 2,3-dihydro-. 6-ethoxy-2-(6-ethoxy-3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3(2H)-one. Benzoic acid, 2-(heptafluorobutyrylthio)-, methyl ester. Benzoic acid, 2-trifluoroacetylthio-, trimethylsilyl ester. Benzoic acid, 2-(pentafluoropropionylthio)-, methyl ester. Benzoic acid, 2-(pentafluoropropionylthio)-. 2-(Methylthio)benzoic acid, 4-bromophenethyl ester. Benzoic acid, 2-heptafluorobutyrylthio-, trimethylsilyl ester. 2-(Methylthio)benzoic acid, 2-(pentafluorophenoxy)ethyl ester. Benzo[b]thiophene, 2,3-dihydro-. Benzoic acid, 2-(2-methylpropyl)thio-, methyl ester.

Find more compounds similar to Benzo(b)thiophene-2,3-dione.

Sources

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