Chemical Properties of Dibenzo[a,j]coronene (CAS 190-72-7)

Dibenzo[a,j]coronene

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InChI
InChI=1S/C32H16/c1-2-6-20-19(5-1)23-13-9-17-11-15-25-21-7-3-4-8-22(21)26-16-12-18-10-14-24(20)30-28(18)32(26)31(25)27(17)29(23)30/h1-16H
InChI Key
HHCCABYUXOGSCO-UHFFFAOYSA-N
Formula
C32H16
SMILES
c1ccc2c(c1)c1ccc3ccc4c5ccccc5c5ccc6ccc2c2c6c5c4c3c12
Molecular Weight1
400.47
CAS
190-72-7
Sources

Physical Properties

Property Value Unit Source
Δf 1099.48 kJ/mol Joback Calculated Property
Δfgas 844.61 kJ/mol Joback Calculated Property
Δfus 55.04 kJ/mol Joback Calculated Property
Δvap 104.95 kJ/mol Joback Calculated Property
IE 6.92 eV NIST
IE 6.92 eV NIST
IE 6.92 eV NIST
logPoct/wat 9.226 Crippen Calculated Property
Pc 1792.42 kPa Joback Calculated Property
Tboil 1121.84 K Joback Calculated Property
Tc 1399.15 K Joback Calculated Property
Tfus 844.90 K Joback Calculated Property
Vc 1.185 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 953.39 J/mol×K 1121.84 Joback Calculated Property
η 0.1125085 Pa×s 1121.84 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 16
=CH- (ring) 16

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[def,mno]chrysene. Dibenzo[a,l]naphthacene. Dibenzo[fg,qr]pentacene. 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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