Chemical Properties of Hexabenzo[bc:ef:hi:kl:no:qr]coronene (CAS 190-24-9)

Hexabenzo[bc:ef:hi:kl:no:qr]coronene

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InChI
InChI=1S/C42H18/c1-7-19-21-9-2-11-23-25-13-4-15-27-29-17-6-18-30-28-16-5-14-26-24-12-3-10-22-20(8-1)31(19)37-38(32(21)23)40(34(25)27)42(36(29)30)41(35(26)28)39(37)33(22)24/h1-18H
InChI Key
IVJZBYVRLJZOOQ-UHFFFAOYSA-N
Formula
C42H18
SMILES
c1cc2c3cccc4c5cccc6c7cccc8c9cccc%10c%11cccc%12c(c1)c2c1c(c34)c(c56)c(c78)c(c%109)c1c%12%11
Molecular Weight1
522.59
CAS
190-24-9
Other Names
  • 1:12,2:3,4:5,6:7,8:9,10:11-Hexabenzocoronene
  • Hexabenzo[bc,ef,hi,kl,no,qr]coronene
Sources

Physical Properties

Property Value Unit Source
Δf 1554.48 kJ/mol Joback Calculated Property
Δfgas 1220.23 kJ/mol Joback Calculated Property
Δfus 76.39 kJ/mol Joback Calculated Property
Δvap 134.51 kJ/mol Joback Calculated Property
IE [6.87; 7.10] eV Show Hide
IE 7.10 ± 0.10 eV NIST
IE 6.87 ± 0.02 eV NIST
IE 6.87 eV NIST
IE 6.89 eV NIST
logPoct/wat 12.152 Crippen Calculated Property
Pc 1413.31 kPa Joback Calculated Property
Tboil 1423.38 K Joback Calculated Property
Tc 1742.76 K Joback Calculated Property
Tfus 1157.32 K Joback Calculated Property
Vc 1.524 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1649.96 J/mol×K 1423.38 Joback Calculated Property
η 20.6552594 Pa×s 1423.38 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 24
=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. 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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