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
  • Tetrahydro-2H-thiopyran
  • Tetrahydrothiapyran
  • Tetrahydrothiopyran
  • Thiacyclohexane
  • Thiane
Sources

Physical Properties

Property Value Unit Source
PAff 855.80 kJ/mol NIST
BasG 826.00 kJ/mol NIST
Δcliquid -3892.50 kJ/mol NIST
Δcliquid -3892.50 ± 0.71 kJ/mol NIST
Δf 63.24 kJ/mol Joback Calculated Property
Δfgas -63.30 kJ/mol NIST
Δfgas -63.50 ± 1.00 kJ/mol NIST
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 42.80 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
logPoct/wat 1.90 Crippen Calculated Property
Pc 4652.99 kPa Joback Calculated Property
liquid 218.24 J/mol×K NIST
Tboil 414.90 K NIST
Tboil 415.00 ± 0.40 K NIST
Tc 684.00 ± 22.00 K NIST
Tfus 291.50 ± 0.10 K NIST
Tfus 292.14 ± 0.05 K NIST
Ttriple 292.25 ± 0.07 K NIST
Vc 0.30 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 141.67 J/mol×K 385.85 Joback Calculated Property
Cp,liquid 163.30 J/mol×K 298.15 NIST
ΔfusH 1.10 kJ/mol 201.4 NIST
ΔfusH 7.77 kJ/mol 240.0 NIST
ΔfusH 2.45 kJ/mol 292.3 NIST
ΔvapH [37.20; 42.80] kJ/mol [350.00; 385.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 42.80 ± 0.20 kJ/mol 350.0 NIST
ΔvapH 39.70 kJ/mol 351.0 NIST
ΔvapH 37.20 kJ/mol 365.5 NIST
ΔvapH 41.40 kJ/mol 376.5 NIST
ΔvapH 39.50 kJ/mol 385.0 NIST
ΔfusS 5.44 J/mol×K 201.4 NIST
ΔfusS 32.38 J/mol×K 240.0 NIST
ΔfusS 8.37 J/mol×K 292.3 NIST

Molecular Descriptors

Joback and Reid Groups
-S- (ring) 1
-CH2- (ring) 5

Similar Compounds

Pentane, 1,1'-thiobis-. 5-Thiadecane. Pentane, 1-(ethylthio)-. Pentane, 1-(propylthio)-. Butane, 1-(ethylthio)-. Pentane, 1-(methylthio)-. Butane, 1-(propylthio)-. Di-n-butyl sulfide. 3,9-Dithiadecane. Thiepane. Butane, 1-(methylthio)-. 6-Thia-1-heptanethiol. Pentane, 1,5-bis(methylthio)-. Hexane, 1,1'-thiobis-. 5-Thiaundecane.

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