Chemical Properties of 2H-Thiopyran, tetrahydro- (CAS 1613-51-0)

2H-Thiopyran, tetrahydro-

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InChI
InChI=1S/C5H10S/c1-2-4-6-5-3-1/h1-5H2
InChI Key
YPWFISCTZQNZAU-UHFFFAOYSA-N
Formula
C5H10S
SMILES
C1CCSCC1
Molecular Weight1
102.20
CAS
1613-51-0
Other Names
  • PENTAMETHYLENE SULFIDE
  • PENTHIOPHANE
  • TETRAHYDROTHIOPYRAN
  • Tetrahydro-2H-thiopyran
  • Tetrahydrothiapyran
  • Thiacyclohexane
  • Thiane
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Physical Properties

Property Value Unit Source
PAff 855.80 kJ/mol NIST
BasG 826.00 kJ/mol NIST
Δcliquid [-3892.50; -3892.50] kJ/mol Show Hide
Δcliquid -3892.50 kJ/mol NIST
Δcliquid -3892.50 ± 0.71 kJ/mol NIST
Δf 63.24 kJ/mol Joback Calculated Property
Δfgas [-63.50; -63.30] kJ/mol Show Hide
Δfgas -63.30 kJ/mol NIST
Δfgas -63.50 ± 1.00 kJ/mol NIST
Δfliquid [-106.20; -106.00] kJ/mol Show Hide
Δfliquid -106.00 ± 1.00 kJ/mol NIST
Δfliquid -106.20 ± 0.88 kJ/mol NIST
Δfus 3.13 kJ/mol Joback Calculated Property
Δvap [42.70; 42.80] kJ/mol Show Hide
Δvap 42.80 kJ/mol NIST
Δvap 42.70 kJ/mol NIST
IE [8.20; 8.45] eV Show Hide
IE 8.20 eV NIST
IE 8.36 eV NIST
IE 8.39 eV NIST
IE 8.45 eV NIST
log10WS -1.69 Crippen Calculated Property
logPoct/wat 1.904 Crippen Calculated Property
McVol 86.800 ml/mol McGowan Calculated Property
Pc 4652.99 kPa Joback Calculated Property
ρc 290.24 ± 39.86 kg/m3 NIST
Inp [842.00; 880.00]   Show Hide
Inp 880.00 NIST
Inp 842.00 NIST
Inp 842.00 NIST
Inp 880.00 NIST
Inp 850.00 NIST
Inp 860.00 NIST
liquid 218.24 J/mol×K NIST
Tboil [414.90; 415.00] K Show Hide
Tboil 414.90 K KDB
Tboil 414.90 K NIST
Tboil 415.00 ± 0.40 K NIST
Tc 684.00 ± 22.00 K NIST
Tfus [291.50; 292.19] K Show Hide
Tfus 292.19 K KDB
Tfus 291.50 ± 0.10 K NIST
Tfus 292.14 ± 0.05 K NIST
Ttriple 292.25 ± 0.07 K NIST
Vc 0.295 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [141.67; 211.88] J/mol×K [385.85; 611.11] Show Hide
Cp,gas 141.67 J/mol×K 385.85 Joback Calculated Property
Cp,gas 155.26 J/mol×K 423.39 Joback Calculated Property
Cp,gas 168.06 J/mol×K 460.94 Joback Calculated Property
Cp,gas 180.09 J/mol×K 498.48 Joback Calculated Property
Cp,gas 191.38 J/mol×K 536.02 Joback Calculated Property
Cp,gas 201.97 J/mol×K 573.57 Joback Calculated Property
Cp,gas 211.88 J/mol×K 611.11 Joback Calculated Property
Cp,liquid 163.30 J/mol×K 298.15 NIST
ΔfusH [1.10; 7.77] kJ/mol [201.40; 292.30] Show Hide
ΔfusH 1.10 kJ/mol 201.40 NIST
ΔfusH 7.77 kJ/mol 240.00 NIST
ΔfusH 2.45 kJ/mol 292.30 NIST
ΔfusH 2.45 kJ/mol 292.30 NIST
ΔvapH [37.20; 42.80] kJ/mol [350.00; 385.00] Show Hide
ΔvapH 42.80 ± 0.20 kJ/mol 350.00 NIST
ΔvapH 39.70 kJ/mol 351.00 NIST
ΔvapH 37.20 kJ/mol 365.50 NIST
ΔvapH 41.40 kJ/mol 376.50 NIST
ΔvapH 39.50 kJ/mol 385.00 NIST
ΔfusS [5.44; 32.38] J/mol×K [201.40; 292.30] Show Hide
ΔfusS 5.44 J/mol×K 201.40 NIST
ΔfusS 32.38 J/mol×K 240.00 NIST
ΔfusS 8.37 J/mol×K 292.30 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [0.74; 202.64] kPa [292.14; 443.20] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.41416e+01
Coefficient B-3.43363e+03
Coefficient C-5.43480e+01
Temperature range, min.292.14
Temperature range, max.443.20
Pvap 0.74 kPa 292.14 Calculated Property
Pvap 1.92 kPa 308.92 Calculated Property
Pvap 4.43 kPa 325.71 Calculated Property
Pvap 9.26 kPa 342.49 Calculated Property
Pvap 17.84 kPa 359.28 Calculated Property
Pvap 32.09 kPa 376.06 Calculated Property
Pvap 54.48 kPa 392.85 Calculated Property
Pvap 87.98 kPa 409.63 Calculated Property
Pvap 136.06 kPa 426.42 Calculated Property
Pvap 202.64 kPa 443.20 Calculated Property
Pvap [1.32; 4669.34] kPa [302.15; 657.12] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A8.31491e+01
Coefficient B-7.85641e+03
Coefficient C-1.00487e+01
Coefficient D5.67464e-06
Temperature range, min.302.15
Temperature range, max.657.12
Pvap 1.32 kPa 302.15 Calculated Property
Pvap 8.95 kPa 341.59 Calculated Property
Pvap 37.93 kPa 381.03 Calculated Property
Pvap 116.68 kPa 420.47 Calculated Property
Pvap 286.54 kPa 459.91 Calculated Property
Pvap 598.86 kPa 499.36 Calculated Property
Pvap 1113.39 kPa 538.80 Calculated Property
Pvap 1900.45 kPa 578.24 Calculated Property
Pvap 3047.35 kPa 617.68 Calculated Property
Pvap 4669.34 kPa 657.12 Calculated Property

Similar Compounds

Pentane, 1,1'-thiobis-. 5-Thiadecane. Pentane, 1-(propylthio)-. Thiepane. Pentane, 1-(ethylthio)-. 3,9-Dithiadecane. Thiocane. Thiacyclodecane. Thiacyclononane. Pentane, 1,5-bis(methylthio)-. Hexane, 1,1'-thiobis-. 6-Thiadodecane. 5-Thiaundecane. Heptane, 1,1'-thiobis-. hexyl propyl sulfide.

Find more compounds similar to 2H-Thiopyran, tetrahydro-.

Sources

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