Chemical Properties of Dibenzo[def,mno]chrysene (CAS 191-26-4)

Dibenzo[def,mno]chrysene

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InChI
InChI=1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H
InChI Key
YFIJJNAKSZUOLT-UHFFFAOYSA-N
Formula
C22H12
SMILES
c1cc2ccc3cc4cccc5ccc6cc(c1)c2c3c6c54
Molecular Weight1
276.33
CAS
191-26-4
Other Names
  • Anthanthren
  • Anthanthrene
  • Anthranthrene
  • Dibenz[def,mno]chrysene
  • Dibenzo[cd,jk]pyrene
  • Dibenzo[def,mmo]chrysene
Sources

Physical Properties

Property Value Unit Source
Δf 729.98 kJ/mol Joback Calculated Property
Δfgas 557.67 kJ/mol Joback Calculated Property
Δfus 36.27 kJ/mol Joback Calculated Property
Δvap 76.42 kJ/mol Joback Calculated Property
IE [6.84; 7.11] eV Show Hide
IE 6.92 ± 0.04 eV NIST
IE 7.10 eV NIST
IE 7.11 eV NIST
IE 7.01 eV NIST
IE 6.84 eV NIST
logPoct/wat 6.33 Crippen Calculated Property
Pc 2485.07 kPa Joback Calculated Property
Tboil 828.86 K Joback Calculated Property
Tc 1092.51 K Joback Calculated Property
Tfus 530.90 ± 1.50 K NIST
Vc 0.83 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 573.06 J/mol×K 828.86 Joback Calculated Property
η 0.01 Pa×s 828.86 Joback Calculated Property
ΔsubH 135.00 ± 5.00 kJ/mol 479.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 10
=CH- (ring) 12

Similar Compounds

Anthra[2,1,9,8-opqra]naphthacene. Benzo[tuv]naphtho[2,1-b]picene. Dibenzo(a,i)pyrene. Benzo[a]coronene. Pyranthrene. Phenanthro[3,4-c]phenanthrene. Pentaphene. Hexabenzo[bc:ef:hi:kl:no:qr]coronene. 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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