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

Dibenzo(a,i)pyrene

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-10-18-14-16-6-2-4-8-20(16)22-12-11-21(19)23(17)24(18)22/h1-14H
InChI Key
TUGYIJVAYAHHHM-UHFFFAOYSA-N
Formula
C24H14
SMILES
c1ccc2c(c1)cc1ccc3cc4ccccc4c4ccc2c1c34
Molecular Weight1
302.37
CAS
189-55-9
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
Sources

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 6.89 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 0.91 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 0.00 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.

Find more compounds similar to Dibenzo(a,i)pyrene.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.