Chemical Properties of Benzo[a]coronene (CAS 190-70-5)

Benzo[a]coronene

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InChI
InChI=1S/C28H14/c1-2-4-20-19(3-1)21-13-11-17-9-7-15-5-6-16-8-10-18-12-14-22(20)28-26(18)24(16)23(15)25(17)27(21)28/h1-14H
InChI Key
NQSLOOOUQZYGEB-UHFFFAOYSA-N
Formula
C28H14
SMILES
c1ccc2c(c1)c1ccc3ccc4ccc5ccc6ccc2c2c6c5c4c3c12
Molecular Weight1
350.41
CAS
190-70-5
Sources

Physical Properties

Property Value Unit Source
Δf 968.78 kJ/mol Joback Calculated Property
Δfgas 747.57 kJ/mol Joback Calculated Property
Δfus 48.05 kJ/mol Joback Calculated Property
Δvap 93.74 kJ/mol Joback Calculated Property
IE 7.08 eV NIST
IE 7.08 eV NIST
IE 7.08 eV NIST
logPoct/wat 8.07 Crippen Calculated Property
Pc 2051.17 kPa Joback Calculated Property
Tboil 1006.36 K Joback Calculated Property
Tc 1275.89 K Joback Calculated Property
Tfus 754.60 K Joback Calculated Property
Vc 1.04 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 777.55 J/mol×K 1006.36 Joback Calculated Property
η 0.06 Pa×s 1006.36 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Anthra[2,1,9,8-opqra]naphthacene. Benzo[tuv]naphtho[2,1-b]picene. Dibenzo(a,i)pyrene. 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. Dibenzo[fg,st]hexacene. Dinaphtho[2,1,8,7-defg!2',1',8',7'-ijkl]pentaphene.

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