Chemical Properties of Benzo[qr]naphtho[2,1,8,7-fghi]pentacene (CAS 190-87-4)

Benzo[qr]naphtho[2,1,8,7-fghi]pentacene

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InChI
InChI=1S/C30H16/c1-2-7-19-18(6-1)16-26-23-11-5-10-22-20-8-3-4-9-21(20)25-15-13-17-12-14-24(19)29(26)27(17)30(25)28(22)23/h1-16H
InChI Key
AVVLVJLIKRMPQZ-UHFFFAOYSA-N
Formula
C30H16
SMILES
c1ccc2c(c1)cc1c3cccc4c5ccccc5c5ccc6ccc2c1c6c5c43
Molecular Weight1
376.45
CAS
190-87-4
Sources

Physical Properties

Property Value Unit Source
Δf 991.38 kJ/mol Joback Calculated Property
Δfgas 751.75 kJ/mol Joback Calculated Property
Δfus 50.25 kJ/mol Joback Calculated Property
Δvap 98.83 kJ/mol Joback Calculated Property
IE [6.97; 7.27] eV Show Hide
IE 6.97 eV NIST
IE 7.27 eV NIST
IE 7.03 eV NIST
IE 6.97 eV NIST
logPoct/wat 8.635 Crippen Calculated Property
Pc 1867.55 kPa Joback Calculated Property
Tboil 1059.82 K Joback Calculated Property
Tc 1334.83 K Joback Calculated Property
Tfus 770.86 K Joback Calculated Property
Vc 1.121 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 877.53 J/mol×K 1059.82 Joback Calculated Property
η 0.0266113 Pa×s 1059.82 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 14
=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. Dibenzo[a,j]coronene. Benzo[e]pyrene. Dibenzo[fg,st]hexacene. Dinaphtho[2,1,8,7-defg!2',1',8',7'-ijkl]pentaphene.

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