Chemical Properties of Dibenzothiophene (CAS 132-65-0)

Dibenzothiophene

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InChI
InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
InChI Key
IYYZUPMFVPLQIF-UHFFFAOYSA-N
Formula
C12H8S
SMILES
c1ccc2c(c1)sc1ccccc12
Molecular Weight1
184.26
CAS
132-65-0
Other Names
  • 2,2'-Biphenylylene sulfide
  • 9-Thiafluorene
  • Dibenzo[b,d]thiophene
  • Diphenylene sulfide
  • [1,1'-Biphenyl]-2,2'-diyl sulfide
  • «alpha»-Thiafluorene
Sources

Physical Properties

Property Value Unit Source
Δcsolid -6571.60 ± 4.40 kJ/mol NIST
Δcsolid -6587.70 ± 1.30 kJ/mol NIST
Δfgas 213.20 ± 0.70 kJ/mol NIST
Δfgas 189.30 ± 4.50 kJ/mol NIST
Δfgas 205.40 kJ/mol NIST
Δfsolid 104.20 ± 4.50 kJ/mol NIST
Δfsolid 120.30 ± 1.50 kJ/mol NIST
Δsub [85.09; 97.50] kJ/mol Show Hide
Δsub 93.20 ± 0.50 kJ/mol NIST
Δsub 93.30 kJ/mol NIST
Δsub 85.10 ± 0.40 kJ/mol NIST
Δsub 85.09 ± 0.35 kJ/mol NIST
Δsub 85.10 kJ/mol NIST
Δsub 97.50 kJ/mol NIST
Δvap 78.30 ± 1.10 kJ/mol NIST
IE [7.90; 8.44] eV Show Hide
IE 8.44 eV NIST
IE 8.34 eV NIST
IE 8.23 eV NIST
IE 7.90 ± 0.03 eV NIST
IE 8.14 eV NIST
IE 7.93 eV NIST
IE 8.01 eV NIST
logPoct/wat 4.05 Crippen Calculated Property
solid,1 bar 204.20 J/mol×K NIST
Tboil 605.70 K NIST
Tboil 426.20 K NIST
Tfus [371.00; 373.00] K Show Hide
Tfus 371.90 ± 0.30 K NIST
Tfus 371.40 ± 0.10 K NIST
Tfus 371.00 ± 0.70 K NIST
Tfus 372.40 ± 0.30 K NIST
Tfus 373.00 ± 2.00 K NIST
Tfus 372.00 ± 2.00 K NIST
Tfus 372.00 ± 2.00 K NIST
Ttriple 371.82 ± 0.00 K NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,solid 198.30 J/mol×K 298.15 NIST
Cp,solid 194.60 J/mol×K 298.15 NIST
ΔfusH [21.58; 21.71] kJ/mol [371.00; 373.20] Show Hide
Plot of Enthalpy of fusion at a given temperature.
ΔfusH 21.58 kJ/mol 371.0 NIST
ΔfusH 21.58 kJ/mol 371.0 NIST
ΔfusH 21.58 kJ/mol 371.0 NIST
ΔfusH 21.60 kJ/mol 371.8 NIST
ΔfusH 21.71 kJ/mol 371.821 NIST
ΔfusH 21.60 kJ/mol 373.2 NIST
ΔfusH 21.60 kJ/mol 373.2 NIST
ΔsubH 91.20 kJ/mol 325.5 NIST
ΔsubH 90.70 kJ/mol 348.0 NIST
ΔvapH [51.80; 69.50] kJ/mol [380.00; 630.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 69.50 ± 0.30 kJ/mol 380.0 NIST
ΔvapH 69.40 kJ/mol 388.0 NIST
ΔvapH 65.60 kJ/mol 398.5 NIST
ΔvapH 66.80 ± 0.30 kJ/mol 420.0 NIST
ΔvapH 64.30 ± 0.30 kJ/mol 460.0 NIST
ΔvapH 60.10 kJ/mol 479.5 NIST
ΔvapH 61.80 ± 0.30 kJ/mol 500.0 NIST
ΔvapH 63.40 kJ/mol 516.0 NIST
ΔvapH 68.00 ± 0.10 kJ/mol 518.5 NIST
ΔvapH 64.90 ± 0.10 kJ/mol 518.5 NIST
ΔvapH 61.80 ± 0.10 kJ/mol 518.5 NIST
ΔvapH 58.70 ± 0.10 kJ/mol 518.5 NIST
ΔvapH 55.40 ± 0.30 kJ/mol 518.5 NIST
ΔvapH 51.80 ± 0.40 kJ/mol 518.5 NIST
ΔvapH 59.30 ± 0.30 kJ/mol 540.0 NIST
ΔvapH 56.80 ± 0.30 kJ/mol 580.0 NIST
ΔvapH 56.90 kJ/mol 590.0 NIST
ΔvapH 55.30 kJ/mol 610.0 NIST
ΔvapH 54.00 ± 0.30 kJ/mol 620.0 NIST
ΔvapH 53.60 kJ/mol 630.0 NIST
ΔfusS 58.17 J/mol×K 371.0 NIST
ΔfusS 58.38 J/mol×K 371.821 NIST

Similar Compounds

Dinaphtho(1,2-b:2',1'-d)thiophene. Benzo[b]naphtho[2,1-d]thiophene. Benzo[b]naphtho[2,3-d]thiophene. Dinaphtho[2,3-b;2',3-d]thiophene. Anthra[2,3-b]benzo[d]thiophene. Anthra[2,1-b]thiophene, 1-methyl. Naphtho[1,2-b]thiophene. Benzo[b]phenanthro[2,3-d]thiophene. Benzo[b]phenanthro[3,2-d]thiophene. Dinaphtho[1,2,-b:2',3'-d]thiophene. Triphenyleno[4,5]thiophene. Phenanthro[4,5-b]thiophene. Phenanthro[4,5-bcd]thiophene. Perylo[1,12-bcd]thiophene. Triphenyleno[4,5-bcd]thiophene.

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