Chemical Properties of Thiirane (CAS 420-12-2)

Thiirane

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InChI
InChI=1S/C2H4S/c1-2-3-1/h1-2H2
InChI Key
VOVUARRWDCVURC-UHFFFAOYSA-N
Formula
C2H4S
SMILES
C1CS1
Molecular Weight1
60.12
CAS
420-12-2
Other Names
  • 2,3-Dihydrothiirene
  • ETHYLENE EPISULFIDE
  • ETHYLENE SULFIDE
  • Ethylene episulphide
  • Ethylene sulphide
  • NSC 89690
  • THIIRENE
  • Thiacyclopropane
  • Thiirene, 2,3-dihydro-
  • epithioethane
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Physical Properties

Property Value Unit Source
ω 0.1540 KDB
PAff 807.40 kJ/mol NIST
BasG 777.60 kJ/mol NIST
Δcliquid -2012.60 kJ/mol NIST
Δf 74.28 kJ/mol Joback Calculated Property
Δfgas 82.30 ± 1.00 kJ/mol NIST
Δfliquid 52.00 ± 1.00 kJ/mol NIST
Δfus 1.66 kJ/mol Joback Calculated Property
Δvap [30.30; 30.30] kJ/mol Show Hide
Δvap 30.30 kJ/mol NIST
Δvap 30.30 ± 0.20 kJ/mol NIST
IE [8.87; 9.05] eV Show Hide
IE 9.05 eV NIST
IE 9.04 ± 0.01 eV NIST
IE 8.90 ± 0.10 eV NIST
IE 8.90 eV NIST
IE 9.00 eV NIST
IE 9.05 ± 0.01 eV NIST
IE 8.87 ± 0.15 eV NIST
IE 9.00 eV NIST
IE 9.05 eV NIST
log10WS -0.44 Crippen Calculated Property
logPoct/wat 0.733 Crippen Calculated Property
McVol 44.530 ml/mol McGowan Calculated Property
Pc 7380.00 kPa KDB
Inp [588.00; 606.00]   Show Hide
Inp 606.00 NIST
Inp 588.00 NIST
Inp 589.00 NIST
Inp 588.00 NIST
Inp 606.00 NIST
I 899.00 NIST
Tboil [328.10; 329.00] K Show Hide
Tboil 328.10 K KDB
Tboil 328.70 K NIST
Tboil 328.90 ± 0.50 K NIST
Tboil 329.00 ± 3.00 K NIST
Tc 555.00 K KDB
Tfus 165.00 K KDB
Vc 0.151 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [53.14; 83.71] J/mol×K [304.40; 503.43] Show Hide
Cp,gas 53.14 J/mol×K 304.40 Joback Calculated Property
Cp,gas 59.39 J/mol×K 337.57 Joback Calculated Property
Cp,gas 65.13 J/mol×K 370.74 Joback Calculated Property
Cp,gas 70.39 J/mol×K 403.91 Joback Calculated Property
Cp,gas 75.23 J/mol×K 437.09 Joback Calculated Property
Cp,gas 79.65 J/mol×K 470.26 Joback Calculated Property
Cp,gas 83.71 J/mol×K 503.43 Joback Calculated Property
ΔvapH [29.20; 30.50] kJ/mol [326.00; 328.10] Show Hide
ΔvapH 30.50 kJ/mol 326.00 NIST
ΔvapH 29.20 kJ/mol 328.10 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [238.59; 351.13] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.43596e+01
Coefficient B-2.85218e+03
Coefficient C-3.59060e+01
Temperature range, min.238.59
Temperature range, max.351.13
Pvap 1.33 kPa 238.59 Calculated Property
Pvap 3.02 kPa 251.09 Calculated Property
Pvap 6.25 kPa 263.60 Calculated Property
Pvap 12.00 kPa 276.10 Calculated Property
Pvap 21.60 kPa 288.61 Calculated Property
Pvap 36.78 kPa 301.11 Calculated Property
Pvap 59.69 kPa 313.62 Calculated Property
Pvap 92.92 kPa 326.12 Calculated Property
Pvap 139.45 kPa 338.63 Calculated Property
Pvap 202.65 kPa 351.13 Calculated Property
Pvap [1.30; 7416.79] kPa [238.15; 555.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A6.49904e+01
Coefficient B-5.61461e+03
Coefficient C-7.58624e+00
Coefficient D6.41076e-06
Temperature range, min.238.15
Temperature range, max.555.00
Pvap 1.30 kPa 238.15 Calculated Property
Pvap 10.65 kPa 273.36 Calculated Property
Pvap 50.45 kPa 308.56 Calculated Property
Pvap 166.01 kPa 343.77 Calculated Property
Pvap 425.29 kPa 378.97 Calculated Property
Pvap 913.43 kPa 414.18 Calculated Property
Pvap 1728.87 kPa 449.38 Calculated Property
Pvap 2985.50 kPa 484.59 Calculated Property
Pvap 4821.81 kPa 519.79 Calculated Property
Pvap 7416.79 kPa 555.00 Calculated Property

Similar Compounds

Ethanethiol. Ethane, (methylthio)-. Thiocyanic acid, ethyl ester. Methane-d3,(methylthio). Dimethyl sulfide. 1,2-Ethanedithiol. Diethyl sulfide. Ethyl thioformate. (Methylthio)-acetonitrile. Ethane, 1,2-bis(methylthio)-. methylthioacetaldehyde. 2-Chloroethyl methyl sulfide. Ethyl chloromethyl sulfide. Methyl ethyl disulfide. 2,4-Dithiapentane.

Find more compounds similar to Thiirane.

Sources

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