Chemical Properties of Dibenzo(a,i)pyrene (CAS 189-55-9)


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InChI Key
Molecular Weight1
Other Names
  • 1,2,7,8-Dibenzopyrene
  • 1,2:7,8-Dibenzpyrene
  • 3,4,9,10-Dibenzopyrene
  • 3,4,9,10-Dibenzpyrene
  • 3,4:9,10-Dibenzopyrene
  • 3,4:9,10-Dibenzpyrene
  • Benzo[rst]pentaphene
  • DB(a,i)P
  • Dibenz(a,i)pyrene
  • Dibenzo(b,h)pyrene
  • Dibenzo-3,4,9,10-pyrene
  • NSC 87521
  • Rcra waste number U064

Physical Properties

Property Value Unit Source
Δf 752.58 kJ/mol Joback Calculated Property
Δfgas 561.85 kJ/mol Joback Calculated Property
Δfus 38.47 kJ/mol Joback Calculated Property
Δvap 81.51 kJ/mol Joback Calculated Property
IE [6.95; 7.30] eV Show Hide
IE 6.95 eV NIST
IE 7.07 ± 0.04 eV NIST
IE 7.30 eV NIST
IE 7.06 eV NIST
logPoct/wat 6.890 Crippen Calculated Property
Pc 2241.88 kPa Joback Calculated Property
Tboil 548.00 K NIST
Tc 1151.38 K Joback Calculated Property
Tfus 556.80 ± 0.10 K NIST
Vc 0.911 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 661.66 J/mol×K 882.32 Joback Calculated Property
η 0.0039187 Pa×s 882.32 Joback Calculated Property
ΔfusH 27.87 kJ/mol 556.8 NIST
ΔfusH 27.87 kJ/mol 556.8 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 10
=CH- (ring) 14

Similar Compounds

Anthra[2,1,9,8-opqra]naphthacene. Benzo[tuv]naphtho[2,1-b]picene. Benzo[a]coronene. Pyranthrene. Phenanthro[3,4-c]phenanthrene. Pentaphene. Hexabenzo[bc:ef:hi:kl:no:qr]coronene. Dibenzo[def,mno]chrysene. Dibenzo[a,l]naphthacene. Dibenzo[fg,qr]pentacene. Dibenzo[a,j]coronene. Benzo[e]pyrene. Benzo[qr]naphtho[2,1,8,7-fghi]pentacene. Dibenzo[fg,st]hexacene. Dinaphtho[2,1,8,7-defg!2',1',8',7'-ijkl]pentaphene.

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