Chemical Properties of Thianthrene (CAS 92-85-3)

Thianthrene

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InChI
InChI=1S/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
InChI Key
GVIJJXMXTUZIOD-UHFFFAOYSA-N
Formula
C12H8S2
SMILES
c1ccc2c(c1)Sc1ccccc1S2
Molecular Weight1
216.32
CAS
92-85-3
Other Names
  • 9,10-Dithiaanthracene
  • Thiaanthrene
  • Thianthren
  • di-o-phenylene disulfide
  • dibenzo-1,4-dithiin
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Physical Properties

Property Value Unit Source
Δcsolid [-7256.00; -7235.40] kJ/mol Show Hide
Δcsolid -7256.00 ± 4.80 kJ/mol NIST
Δcsolid -7253.30 ± 1.40 kJ/mol NIST
Δcsolid -7252.50 ± 2.20 kJ/mol NIST
Δcsolid -7252.09 kJ/mol NIST
Δcsolid -7250.30 ± 2.90 kJ/mol NIST
Δcsolid -7250.70 ± 1.60 kJ/mol NIST
Δcsolid Outlier -7235.40 ± 0.67 kJ/mol NIST
Δf 416.00 kJ/mol Joback Calculated Property
Δfgas 348.93 kJ/mol Joback Calculated Property
Δfsolid [181.30; 186.60] kJ/mol Show Hide
Δfsolid 186.60 ± 4.80 kJ/mol NIST
Δfsolid 184.20 ± 1.50 kJ/mol NIST
Δfsolid 182.60 ± 1.30 kJ/mol NIST
Δfsolid 181.30 ± 2.30 kJ/mol NIST
Δfus 20.62 kJ/mol Joback Calculated Property
Δsub [99.39; 99.40] kJ/mol Show Hide
Δsub 99.39 ± 0.56 kJ/mol NIST
Δsub 99.40 ± 0.60 kJ/mol NIST
Δvap 59.86 kJ/mol Joback Calculated Property
IE [7.70; 7.93] eV Show Hide
IE 7.80 eV NIST
IE 7.70 eV NIST
IE 7.80 ± 0.03 eV NIST
IE 7.90 eV NIST
IE 7.93 eV NIST
log10WS -4.55 Crippen Calculated Property
logPoct/wat 4.302 Crippen Calculated Property
McVol 154.260 ml/mol McGowan Calculated Property
Pc 3848.31 kPa Joback Calculated Property
Inp [327.90; 1909.00]   Show Hide
Inp 1901.00 NIST
Inp 1883.00 NIST
Inp 1909.00 NIST
Inp 1901.00 NIST
Inp 1901.00 NIST
Inp 327.90 NIST
Inp 328.58 NIST
Inp 330.13 NIST
Inp 1883.00 NIST
Inp 327.90 NIST
solid,1 bar 230.89 J/mol×K NIST
Tboil 639.20 K NIST
Tc 927.46 K Joback Calculated Property
Tfus [429.00; 429.85] K Show Hide
Tfus 429.00 ± 1.00 K NIST
Tfus 429.85 ± 0.50 K NIST
Ttriple [428.43; 429.57] K Show Hide
Ttriple 429.57 ± 0.00 K NIST
Ttriple 428.43 ± 0.38 K NIST
Vc 0.549 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [343.58; 406.63] J/mol×K [640.08; 927.46] Show Hide
Cp,gas 343.58 J/mol×K 640.08 Joback Calculated Property
Cp,gas 356.64 J/mol×K 687.98 Joback Calculated Property
Cp,gas 368.41 J/mol×K 735.87 Joback Calculated Property
Cp,gas 379.09 J/mol×K 783.77 Joback Calculated Property
Cp,gas 388.89 J/mol×K 831.67 Joback Calculated Property
Cp,gas 398.00 J/mol×K 879.57 Joback Calculated Property
Cp,gas 406.63 J/mol×K 927.46 Joback Calculated Property
Cp,solid [220.17; 224.97] J/mol×K [298.15; 298.15] Show Hide
Cp,solid 220.17 J/mol×K 298.15 NIST
Cp,solid 224.97 J/mol×K 298.15 NIST
ΔfusH [27.55; 27.56] kJ/mol [429.58; 429.60] Show Hide
ΔfusH 27.56 kJ/mol 429.58 NIST
ΔfusH 27.55 kJ/mol 429.60 NIST
ΔfusH 27.55 kJ/mol 429.60 NIST
ΔsubH [97.50; 103.60] kJ/mol [350.00; 393.00] Show Hide
ΔsubH 103.60 ± 0.40 kJ/mol 350.00 NIST
ΔsubH 98.60 ± 0.50 kJ/mol 353.00 NIST
ΔsubH 97.50 ± 6.30 kJ/mol 353.00 NIST
ΔsubH 98.00 kJ/mol 393.00 NIST
ΔvapH [61.70; 72.70] kJ/mol [438.00; 517.00] Show Hide
ΔvapH 71.10 kJ/mol 438.00 NIST
ΔvapH 71.20 kJ/mol 444.50 NIST
ΔvapH 68.40 kJ/mol 499.50 NIST
ΔvapH 68.70 kJ/mol 511.50 NIST
ΔvapH 69.10 kJ/mol 511.50 NIST
ΔvapH 67.20 kJ/mol 517.00 NIST
ΔvapH 64.50 kJ/mol 517.00 NIST
ΔvapH 61.70 kJ/mol 517.00 NIST
ΔvapH 72.70 kJ/mol 517.00 NIST
ΔvapH 69.90 kJ/mol 517.00 NIST
Psub [1.61e-04; 1.20e-03] kPa [344.27; 364.06] Show Hide
Psub 1.63e-04 kPa 344.27 Thermod...
Psub 1.61e-04 kPa 344.27 Thermod...
Psub 1.61e-04 kPa 344.27 Thermod...
Psub 2.00e-04 kPa 346.12 Thermod...
Psub 1.98e-04 kPa 346.12 Thermod...
Psub 1.97e-04 kPa 346.12 Thermod...
Psub 2.39e-04 kPa 348.10 Thermod...
Psub 2.46e-04 kPa 348.10 Thermod...
Psub 2.43e-04 kPa 348.10 Thermod...
Psub 2.99e-04 kPa 350.26 Thermod...
Psub 3.01e-04 kPa 350.26 Thermod...
Psub 2.99e-04 kPa 350.26 Thermod...
Psub 3.70e-04 kPa 352.11 Thermod...
Psub 3.68e-04 kPa 352.11 Thermod...
Psub 3.62e-04 kPa 352.11 Thermod...
Psub 4.39e-04 kPa 354.10 Thermod...
Psub 4.46e-04 kPa 354.10 Thermod...
Psub 4.47e-04 kPa 354.10 Thermod...
Psub 5.49e-04 kPa 356.26 Thermod...
Psub 5.60e-04 kPa 356.26 Thermod...
Psub 5.55e-04 kPa 356.26 Thermod...
Psub 6.80e-04 kPa 358.10 Thermod...
Psub 6.87e-04 kPa 358.10 Thermod...
Psub 6.69e-04 kPa 358.10 Thermod...
Psub 9.92e-04 kPa 362.05 Thermod...
Psub 9.95e-04 kPa 362.05 Thermod...
Psub 9.73e-04 kPa 362.05 Thermod...
Psub 1.20e-03 kPa 364.06 Thermod...
Psub 1.20e-03 kPa 364.06 Thermod...
Psub 1.17e-03 kPa 364.06 Thermod...

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 477.20 K 1.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [0.64; 202.63] kPa [460.00; 674.28] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.86659e+01
Coefficient B-9.49527e+03
Coefficient C3.67360e+01
Temperature range, min.460.00
Temperature range, max.674.28
Pvap 0.64 kPa 460.00 Calculated Property
Pvap 1.53 kPa 483.81 Calculated Property
Pvap 3.40 kPa 507.62 Calculated Property
Pvap 7.05 kPa 531.43 Calculated Property
Pvap 13.82 kPa 555.24 Calculated Property
Pvap 25.69 kPa 579.04 Calculated Property
Pvap 45.61 kPa 602.85 Calculated Property
Pvap 77.70 kPa 626.66 Calculated Property
Pvap 127.58 kPa 650.47 Calculated Property
Pvap 202.63 kPa 674.28 Calculated Property

Similar Compounds

Thianthrene, 5-oxide. Diphenyl sulfide. Diphenyl sulfoxide. 2-Phenylnaphthylsulfide. Diphenyl sulfone. Naphthalene, 1-(phenylthio)-. 4,4'-Dichlorodiphenylsulphide. Benzene, 1-chloro-3-(phenylthio)-. Phenol, 4,4'-thiobis-. Bis(2-hydroxyphenyl)sulfide. Sulphenone. Benzenamine, 4,4'-thiobis-. Benzene, 1-fluoro-4-(phenylsulfonyl)-. Benzene, 1-nitro-4-(phenylthio)-. Sulfoxide, bis(p-chlorophenyl).

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Mixtures

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.