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

Dibenzo(a,i)pyrene

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

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
log10WS -9.91 Crippen Calculated Property
logPoct/wat 6.890 Crippen Calculated Property
McVol 232.260 ml/mol McGowan Calculated Property
Pc 2241.88 kPa Joback Calculated Property
Inp [556.32; 3570.00]   Show Hide
Inp 3526.00 NIST
Inp 3526.00 NIST
Inp 3570.00 NIST
Inp 3526.00 NIST
Inp 556.47 NIST
Inp 557.20 NIST
Inp 560.34 NIST
Inp 556.32 NIST
Inp 556.32 NIST
Inp 556.47 NIST
Inp 586.40 NIST
Inp 556.47 NIST
Inp 558.11 NIST
Inp 3570.00 NIST
Tboil 882.32 K Joback Calculated Property
Tc 1151.38 K Joback Calculated Property
Tfus 556.80 ± 0.10 K NIST
Vc 0.911 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [661.66; 757.84] J/mol×K [882.32; 1151.38] Show Hide
Cp,gas 661.66 J/mol×K 882.32 Joback Calculated Property
Cp,gas 676.44 J/mol×K 927.16 Joback Calculated Property
Cp,gas 691.24 J/mol×K 972.01 Joback Calculated Property
Cp,gas 706.42 J/mol×K 1016.85 Joback Calculated Property
Cp,gas 722.35 J/mol×K 1061.69 Joback Calculated Property
Cp,gas 739.36 J/mol×K 1106.54 Joback Calculated Property
Cp,gas 757.84 J/mol×K 1151.38 Joback Calculated Property
η [0.0039222; 0.0052883] Pa×s [606.52; 882.32] Show Hide
η 0.0052883 Pa×s 606.52 Joback Calculated Property
η 0.0049439 Pa×s 652.49 Joback Calculated Property
η 0.0046630 Pa×s 698.45 Joback Calculated Property
η 0.0044300 Pa×s 744.42 Joback Calculated Property
η 0.0042338 Pa×s 790.39 Joback Calculated Property
η 0.0040664 Pa×s 836.35 Joback Calculated Property
η 0.0039222 Pa×s 882.32 Joback Calculated Property
ΔfusH [27.87; 27.87] kJ/mol [556.80; 556.80] Show Hide
ΔfusH 27.87 kJ/mol 556.80 NIST
ΔfusH 27.87 kJ/mol 556.80 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 548.00 K 0.01 NIST

Similar Compounds

Benzo[c]naphtho[2,1-m]pentaphene. Benzo[a]heptacene. Benzo[j]benzo[2,1-a!3,4-a']dianthracene. Benzo[bc]naphtho[1,2,3-ef]coronene. Anthra[9,1,2-abc]coronene. Dibenzo[fgh,pqr]trinaphthylene. Dibenzo[fg,ij]naphtho[2,1,8-uva]pentaphene. Chryseno[2,1-b]picene. Dibenzo[c,rst]pentaphene. Benzo[c]naphtho[8,1,2-ghi]chrysene. Dibenzo[de,ij]pentaphene. Naphtho[2,1,8-uva]pentaphene. Dibenzo[b,tuv]picene. Naphtho[2,1-b]perylene. Benzo[mno]naphtho[1,2-c]chrysene.

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

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