Chemical Properties of Thiophene, tetrahydro- (CAS 110-01-0)

Thiophene, tetrahydro-

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InChI
InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2
InChI Key
RAOIDOHSFRTOEL-UHFFFAOYSA-N
Formula
C4H8S
SMILES
C1CCSC1
Molecular Weight1
88.17
CAS
110-01-0
Other Names
  • NSC 5272
  • Pennodorant 1013
  • THT
  • Tetrahydrothiofen
  • Tetrahydrothiophen
  • Tetrahydrothiophene
  • Tetramethylene sulfide
  • Tetramethylene sulphide
  • Thiacyclopentane
  • Thilane
  • Thiofan
  • Thiolan
  • Thiolane
  • Thiophane
  • UN 2412
Sources

Physical Properties

Property Value Unit Source
PAff 849.10 kJ/mol NIST
BasG 819.30 kJ/mol NIST
Δcliquid -3246.80 ± 1.00 kJ/mol NIST
Δcliquid -3246.20 ± 1.30 kJ/mol NIST
Δf 66.92 kJ/mol Joback Calculated Property
Δfgas -33.60 ± 1.20 kJ/mol NIST
Δfgas -34.50 ± 1.50 kJ/mol NIST
Δfliquid -72.80 ± 1.20 kJ/mol NIST
Δfliquid -73.10 ± 1.50 kJ/mol NIST
Δfus 2.64 kJ/mol Joback Calculated Property
Δvap [38.60; 39.46] kJ/mol Show Hide
Δvap 39.46 kJ/mol NIST
Δvap 38.80 kJ/mol NIST
Δvap 39.20 ± 0.30 kJ/mol NIST
Δvap 39.20 kJ/mol NIST
Δvap 38.60 kJ/mol NIST
Δvap 38.80 kJ/mol NIST
IE [8.38; 8.62] eV Show Hide
IE 8.38 eV NIST
IE 8.38 eV NIST
IE 8.62 ± 0.05 eV NIST
IE 8.62 eV NIST
IE 8.57 ± 0.15 eV NIST
IE 8.40 eV NIST
logPoct/wat 1.51 Crippen Calculated Property
Pc 5138.68 kPa Joback Calculated Property
liquid 207.82 J/mol×K NIST
Tboil [391.95; 396.00] K Show Hide
Tboil 392.20 K NIST
Tboil 393.70 K NIST
Tboil 394.30 K NIST
Tboil 396.00 ± 3.00 K NIST
Tboil 394.26 ± 0.10 K NIST
Tboil 392.00 ± 0.50 K NIST
Tboil 391.95 ± 0.50 K NIST
Tc 632.00 K NIST
Tc 632.00 ± 1.00 K NIST
Tfus 174.35 ± 1.00 K NIST
Ttriple 176.98 ± 0.06 K NIST
Vc 0.25 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 108.58 J/mol×K 358.7 Joback Calculated Property
Cp,liquid 140.16 J/mol×K 298.15 NIST
ΔfusH 7.35 kJ/mol 176.98 NIST
ΔfusH 7.35 kJ/mol 177.0 NIST
ΔfusH 7.35 kJ/mol 177.0 NIST
ΔvapH 37.70 kJ/mol 366.0 NIST
ΔvapH 37.10 kJ/mol 388.5 NIST
ΔvapH 34.66 kJ/mol 394.3 NIST
ΔfusS 41.54 J/mol×K 176.98 NIST

Molecular Descriptors

Joback and Reid Groups
-S- (ring) 1
-CH2- (ring) 4

Similar Compounds

Butane, 1-(methylthio)-. Butane, 1-(ethylthio)-. Sulfide, ethyl propyl. Di-n-butyl sulfide. Butane, 1-(propylthio)-. Propane, 1-(methylthio)-. 1-Butanethiol, 4-(methylthio)-. 2H-Thiopyran, tetrahydro-. Propane, 1,1'-thiobis-. 5-Thia-1-heptanethiol. Thiirane, ethyl-. Butane, 1,4-bis(methylthio)-. Pentane, 1-(methylthio)-. Thietane, 2-methyl-. Butane, 1,4-bis(ethylthio)-.

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