Chemical Properties of Dihydro-3-(2H)-thiophenone (CAS 1003-04-9)

Dihydro-3-(2H)-thiophenone

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InChI
InChI=1S/C4H6OS/c5-4-1-2-6-3-4/h1-3H2
InChI Key
DSXFPRKPFJRPIB-UHFFFAOYSA-N
Formula
C4H6OS
SMILES
O=C1CCSC1
Molecular Weight1
102.16
CAS
1003-04-9
Other Names
  • 3(2H)-Thiophenone, dihydro-
  • 3-Oxo-2,3,4,5-tetrahydrothiophene
  • 3-Oxotetrahydrothiophene
  • 3-Thiacyclopentanone
  • 3-Thiophanone
  • 4,5-Dihydro-3(2H)-thiophenone
  • NSC 241151
  • Tetrahydrothiophen-3-one
  • Tetrahydrothiophene-3-one
  • Thiolan-3-one
  • dihydro-3-(2H)-thiophenone (tetrahydrothiophen-3-one)
  • dihydrothiophen-3(2H)-one
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Physical Properties

Property Value Unit Source
Δcliquid -2848.00 ± 1.70 kJ/mol NIST
Δf -55.67 kJ/mol Joback Calculated Property
Δfgas -135.30 ± 2.00 kJ/mol NIST
Δfus 2.15 kJ/mol Joback Calculated Property
Δvap 50.10 ± 0.80 kJ/mol NIST
log10WS -0.56 Crippen Calculated Property
logPoct/wat 0.692 Crippen Calculated Property
McVol 74.280 ml/mol McGowan Calculated Property
Pc 5406.57 kPa Joback Calculated Property
Inp [902.00; 983.00]   Show Hide
Inp 942.00 NIST
Inp 983.00 NIST
Inp 952.00 NIST
Inp 902.00 NIST
Inp 914.00 NIST
Inp 913.00 NIST
Inp 906.00 NIST
Inp 964.00 NIST
Inp 976.00 NIST
Inp 976.00 NIST
Inp 975.00 NIST
Inp 955.00 NIST
Inp 913.00 NIST
Inp 954.00 NIST
Inp 914.00 NIST
Inp 916.00 NIST
Inp 959.00 NIST
Inp 914.00 NIST
Inp 959.00 NIST
Inp 964.00 NIST
Inp 942.00 NIST
Inp 913.00 NIST
Inp 955.00 NIST
I [1547.00; 1573.00]   Show Hide
I 1547.00 NIST
I 1573.00 NIST
I 1557.00 NIST
I 1563.00 NIST
I 1565.00 NIST
I 1565.00 NIST
I 1570.00 NIST
I 1553.00 NIST
I 1573.00 NIST
I 1570.00 NIST
I 1547.00 NIST
Tboil 448.20 K NIST
Tc 667.95 K Joback Calculated Property
Tfus 301.65 K Joback Calculated Property
Vc 0.255 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [129.08; 182.78] J/mol×K [426.52; 667.95] Show Hide
Cp,gas 129.08 J/mol×K 426.52 Joback Calculated Property
Cp,gas 139.26 J/mol×K 466.76 Joback Calculated Property
Cp,gas 148.95 J/mol×K 507.00 Joback Calculated Property
Cp,gas 158.14 J/mol×K 547.23 Joback Calculated Property
Cp,gas 166.85 J/mol×K 587.47 Joback Calculated Property
Cp,gas 175.06 J/mol×K 627.71 Joback Calculated Property
Cp,gas 182.78 J/mol×K 667.95 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 347.50 ± 1.50 K 2.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [336.35; 473.40] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.76415e+01
Coefficient B-5.83698e+03
Temperature range, min.336.35
Temperature range, max.473.40
Pvap 1.33 kPa 336.35 Calculated Property
Pvap 2.83 kPa 351.58 Calculated Property
Pvap 5.63 kPa 366.81 Calculated Property
Pvap 10.62 kPa 382.03 Calculated Property
Pvap 19.08 kPa 397.26 Calculated Property
Pvap 32.81 kPa 412.49 Calculated Property
Pvap 54.31 kPa 427.72 Calculated Property
Pvap 86.82 kPa 442.94 Calculated Property
Pvap 134.53 kPa 458.17 Calculated Property
Pvap 202.67 kPa 473.40 Calculated Property

Similar Compounds

2-Butanone, 4-(methylthio)-. 4-Methylthio-2-butanone. 3(2H)-Thiophenone, dihydro-2-methyl-. 2H-Thiopyran-3(4H)-one, dihydro-. 4H-Thiopyran-4-one, tetrahydro-. 4,5-dihydro-5-methyl-3(2H)-thiophenone. 1-(Methylthio)-3-pentanone. 2-[Butylthio]ethanal. Thiophene, tetrahydro-. Dihydro-2(3H)-thiophenone. 3(2H)-Thiophenone, 2-ethyldihydro-. Butanethioic acid, S-butyl ester. 2-[Pentylthio]ethanal. Butyl sulfide. 2-acetylthietane.

Find more compounds similar to Dihydro-3-(2H)-thiophenone.

Sources

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