Chemical Properties of Perylene (CAS 198-55-0)

Perylene

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InChI
InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H
InChI Key
CSHWQDPOILHKBI-UHFFFAOYSA-N
Formula
C20H12
SMILES
c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
Molecular Weight1
252.31
CAS
198-55-0
Other Names
  • Dibenz[de,kl]anthracene
  • Peri-Dinaphthalene
  • Perilene
  • «alpha»-Perylene
Sources

Physical Properties

Property Value Unit Source
PAff 888.60 kJ/mol NIST
PAff 887.40 kJ/mol NIST
BasG 859.60 kJ/mol NIST
BasG 859.40 kJ/mol NIST
Δcsolid -9767.97 ± 0.46 kJ/mol NIST
Δcsolid -9754.00 ± 61.00 kJ/mol NIST
EA 0.97 ± 0.01 eV NIST
EA 0.99 ± 0.04 eV NIST
EA 0.35 ± 0.10 eV NIST
Δf 621.88 kJ/mol Joback Calculated Property
Δfgas 318.30 ± 3.70 kJ/mol NIST
Δfsolid 182.40 ± 2.70 kJ/mol NIST
Δfsolid 182.70 ± 0.46 kJ/mol NIST
Δfus 31.48 kJ/mol Joback Calculated Property
Δsub 135.90 ± 2.60 kJ/mol NIST
Δsub 145.20 ± 2.50 kJ/mol NIST
Δsub 125.50 ± 4.20 kJ/mol NIST
Δvap 119.50 kJ/mol NIST
Δvap 123.10 ± 1.70 kJ/mol NIST
IE [6.83; 7.15] eV Show Hide
IE 6.96 ± 0.00 eV NIST
IE 6.96 ± 0.00 eV NIST
IE 6.90 ± 0.01 eV NIST
IE 7.00 ± 0.01 eV NIST
IE 7.10 ± 0.10 eV NIST
IE 7.10 eV NIST
IE 6.85 eV NIST
IE 7.11 eV NIST
IE 7.06 eV NIST
IE 7.10 eV NIST
IE 7.03 eV NIST
IE 7.15 eV NIST
IE 6.83 eV NIST
IE 6.97 eV NIST
IE 6.97 eV NIST
logPoct/wat 5.74 Crippen Calculated Property
Pc 2608.40 kPa Joback Calculated Property
solid,1 bar 264.60 J/mol×K NIST
Tboil 766.84 K Joback Calculated Property
Tc 1030.60 K Joback Calculated Property
Tfus [534.15; 554.00] K Show Hide
Tfus 554.00 ± 0.50 K NIST
Tfus 547.00 ± 2.00 K NIST
Tfus 545.00 ± 4.00 K NIST
Tfus 542.00 ± 2.00 K NIST
Tfus 537.00 ± 8.00 K NIST
Tfus 540.00 ± 4.00 K NIST
Tfus 534.15 ± 1.50 K NIST
Tfus 537.00 ± 8.00 K NIST
Tfus 534.15 ± 2.00 K NIST
Tfus 544.00 ± 3.00 K NIST
Tfus 539.00 ± 8.00 K NIST
Tfus 546.00 ± 3.00 K NIST
Tfus 547.00 ± 3.00 K NIST
Tfus 546.00 ± 3.00 K NIST
Tfus 547.00 ± 2.00 K NIST
Tfus 551.00 ± 3.00 K NIST
Tfus 552.00 ± 3.00 K NIST
Tfus 540.00 ± 3.00 K NIST
Tfus 538.00 ± 3.00 K NIST
Tfus 538.00 ± 2.00 K NIST
Ttriple 550.95 ± 0.01 K NIST
Vc 0.77 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 521.16 J/mol×K 766.84 Joback Calculated Property
Cp,solid 274.90 J/mol×K 298.15 NIST
η 0.00 Pa×s 766.84 Joback Calculated Property
ΔfusH 31.88 kJ/mol 551.0 NIST
ΔfusH 32.58 kJ/mol 551.29 NIST
ΔsubH [121.30; 139.00] kJ/mol [370.00; 418.00] Show Hide
Plot of Enthalpy of sublimation at a given temperature.
ΔsubH 121.30 kJ/mol 370.0 NIST
ΔsubH 123.20 kJ/mol 383.0 NIST
ΔsubH 132.60 ± 3.60 kJ/mol 407.5 NIST
ΔsubH 129.60 ± 2.10 kJ/mol 415.0 NIST
ΔsubH 139.00 kJ/mol 418.0 NIST
ΔvapH 89.90 kJ/mol 398.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 8
=CH- (ring) 12

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. Dibenzo[fg,st]hexacene.

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