Chemical Properties of 2(5H)-Thiophenone (CAS 3354-32-3)

2(5H)-Thiophenone

InChI
InChI=1S/C4H4OS/c5-4-2-1-3-6-4/h1-2H,3H2
InChI Key
NMSLUAZZTFUUFZ-UHFFFAOYSA-N
Formula
C4H4OS
SMILES
O=C1C=CCS1
Molecular Weight1
100.14
CAS
3354-32-3
Other Names
  • 2-Butenoic acid, 4-mercapto-, «gamma»-(thio lactone)
  • 2,5-Dihydrothiophenone
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Physical Properties

Property Value Unit Source
ω 0.2505 Relay (1.0) Calculated Property
Δf -25.71 kJ/mol Joback Calculated Property
Δfgas -91.86 kJ/mol Relay (1.0) Calculated Property
Δfus 3.37 kJ/mol Joback Calculated Property
Δvap 56.00 ± 1.20 kJ/mol NIST
IE 9.78 ± 0.05 eV NIST
log10WS -0.94 Relay (1.0) Calculated Property
logPoct/wat 0.816 Crippen Calculated Property
McVol 69.980 ml/mol McGowan Calculated Property
Pc 5704.58 kPa Joback Calculated Property
Tboil 458.12 K Relay (1.0) Calculated Property
Tc 681.00 K Relay (1.0) Calculated Property
Tfus 262.63 K Relay (1.0) Calculated Property
Vc 0.236 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [115.44; 160.37] J/mol×K [425.68; 669.83] Show Hide
Cp,gas 115.44 J/mol×K 425.68 Joback Calculated Property
Cp,gas 124.02 J/mol×K 466.37 Joback Calculated Property
Cp,gas 132.16 J/mol×K 507.06 Joback Calculated Property
Cp,gas 139.87 J/mol×K 547.76 Joback Calculated Property
Cp,gas 147.14 J/mol×K 588.45 Joback Calculated Property
Cp,gas 153.97 J/mol×K 629.14 Joback Calculated Property
Cp,gas 160.37 J/mol×K 669.83 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 359.20 K 1.30 NIST

Similar Compounds

Thiophene, 2,5-dihydro-. 3-methyl-2-oxo-2,5-dihydro-thiophene. allyl thioacetate. 2(5H)-Thiophenone, 5-methyl-. trans-1-(Methylthio)-2-butene. Sulfide, 2-butenyl methyl, cis, (Z)-. Allyl thiopropionate. 2-[But-2-enylthio]ethanal. 2-Butene, 2-(ethylthio)-, (Z)-. trans-1-(Ethylthio)-2-butene. 1-(Ethylthiomethyl)propene. 2,5-Dihydrothiophene sulfone. 4-(methylthio)butenenitrile. 2-Butene, 1-[(1,1-dimethylethyl)thio]-, (Z)-. trans-1-(t-Butylthio)-2-butene.

Find more compounds similar to 2(5H)-Thiophenone.

Sources

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