Chemical Properties of Dibenzo[fg,st]hexacene (CAS 313-97-3)

Dibenzo[fg,st]hexacene

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InChI
InChI=1S/C32H18/c1-3-9-23-19(7-1)15-21-17-29-28-14-6-12-26-24-10-4-2-8-20(24)16-22(32(26)28)18-30(29)27-13-5-11-25(23)31(21)27/h1-18H
InChI Key
JEMVEIWDDNPRDI-UHFFFAOYSA-N
Formula
C32H18
SMILES
c1ccc2c(c1)cc1cc3c4cccc5c6ccccc6cc(cc3c3cccc2c13)c54
Molecular Weight1
402.49
CAS
313-97-3
Sources

Physical Properties

Property Value Unit Source
Δf 1013.98 kJ/mol Joback Calculated Property
Δfgas 755.93 kJ/mol Joback Calculated Property
Δfus 52.45 kJ/mol Joback Calculated Property
Δvap 103.92 kJ/mol Joback Calculated Property
logPoct/wat 9.197 Crippen Calculated Property
Pc 1707.53 kPa Joback Calculated Property
Tboil 1113.28 K Joback Calculated Property
Tc 1393.93 K Joback Calculated Property
Tfus 787.12 K Joback Calculated Property
Vc 1.204 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 980.19 J/mol×K 1113.28 Joback Calculated Property
η 0.0110830 Pa×s 1113.28 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 14
=CH- (ring) 18

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. Dibenzo[a,j]coronene. Benzo[e]pyrene. Benzo[qr]naphtho[2,1,8,7-fghi]pentacene. Dinaphtho[2,1,8,7-defg!2',1',8',7'-ijkl]pentaphene.

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