Chemical Properties of Dibenzo[fg,qr]pentacene (CAS 197-74-0)

Dibenzo[fg,qr]pentacene

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InChI
InChI=1S/C28H16/c1-3-9-19-17(7-1)15-25-23-13-6-12-22-20-10-4-2-8-18(20)16-26(28(22)23)24-14-5-11-21(19)27(24)25/h1-16H
InChI Key
CQZAFTXSQXUULO-UHFFFAOYSA-N
Formula
C28H16
SMILES
c1ccc2c(c1)cc1c3cccc4c5ccccc5cc(c5cccc2c51)c43
Molecular Weight1
352.43
CAS
197-74-0
Sources

Physical Properties

Property Value Unit Source
Δf 883.28 kJ/mol Joback Calculated Property
Δfgas 658.89 kJ/mol Joback Calculated Property
Δfus 45.46 kJ/mol Joback Calculated Property
Δvap 92.71 kJ/mol Joback Calculated Property
IE 7.11 eV NIST
IE 6.84 eV NIST
IE 6.86 eV NIST
logPoct/wat 8.044 Crippen Calculated Property
Pc 1947.51 kPa Joback Calculated Property
Tboil 997.80 K Joback Calculated Property
Tc 1271.87 K Joback Calculated Property
Tfus 696.82 K Joback Calculated Property
Vc 1.058 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 812.33 J/mol×K 997.8 Joback Calculated Property
η 0.0066245 Pa×s 997.8 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 12
=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[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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