Chemical Properties of Chrysene (CAS 218-01-9)

Chrysene

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InChI
InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H
InChI Key
WDECIBYCCFPHNR-UHFFFAOYSA-N
Formula
C18H12
SMILES
c1ccc2c(c1)ccc1c3ccccc3ccc21
Molecular Weight1
228.29
CAS
218-01-9
Other Names
  • 1,2,5,6-Dibenzonaphthalene
  • 1,2-Benzophenanthrene
  • 1,2-Benzphenanthrene
  • Benz(a)phenanthrene
  • Benzo[a]phenanthrene
  • Crysene
  • Rcra waste number U050
Sources

Physical Properties

Property Value Unit Source
PAff 840.90 kJ/mol NIST
PAff 828.90 kJ/mol NIST
BasG 810.10 kJ/mol NIST
BasG 804.60 kJ/mol NIST
Δcsolid -8943.40 ± 2.10 kJ/mol NIST
EA 0.32 ± 0.01 eV NIST
EA 0.40 ± 0.01 eV NIST
EA 0.33 eV NIST
Δf 513.78 kJ/mol Joback Calculated Property
Δfgas 268.70 ± 4.70 kJ/mol NIST
Δfsolid 145.30 ± 2.20 kJ/mol NIST
Δfus 26.70 kJ/mol Joback Calculated Property
Δsub 123.40 ± 4.20 kJ/mol NIST
Δsub 131.00 ± 4.00 kJ/mol NIST
Δsub 131.00 ± 4.00 kJ/mol NIST
Δvap 106.20 kJ/mol NIST
Δvap 97.00 ± 1.40 kJ/mol NIST
IE [7.59; 8.00] eV Show Hide
IE 7.60 ± 0.01 eV NIST
IE 7.60 ± 0.03 eV NIST
IE Outlier 8.00 ± 0.20 eV NIST
IE 7.59 ± 0.05 eV NIST
IE 7.60 ± 0.01 eV NIST
IE Outlier 8.00 ± 0.30 eV NIST
IE 7.82 eV NIST
IE 7.83 eV NIST
IE 7.68 eV NIST
IE 7.75 eV NIST
IE 7.80 eV NIST
IE 7.78 eV NIST
IE 7.72 eV NIST
IE 7.59 ± 0.02 eV NIST
IE 7.59 eV NIST
IE 7.61 eV NIST
logPoct/wat 5.15 Crippen Calculated Property
Pc 2741.15 kPa Joback Calculated Property
Tboil 721.20 K NIST
Tc 968.39 K Joback Calculated Property
Tfus [527.35; 531.40] K Show Hide
Tfus 531.40 ± 0.20 K NIST
Tfus 529.00 ± 2.00 K NIST
Tfus 527.35 ± 1.00 K NIST
Tfus 529.20 ± 1.00 K NIST
Tfus 527.90 ± 0.50 K NIST
Vc 0.70 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 468.00 J/mol×K 704.82 Joback Calculated Property
η 0.00 Pa×s 704.82 Joback Calculated Property
ΔfusH 3.22 kJ/mol 512.2 NIST
ΔfusH 26.15 kJ/mol 531.4 NIST
ΔsubH [118.00; 121.40] kJ/mol [293.00; 400.00] Show Hide
Plot of Enthalpy of sublimation at a given temperature.
ΔsubH 118.00 kJ/mol 293.0 NIST
ΔsubH 119.00 kJ/mol 353.0 NIST
ΔsubH 118.80 kJ/mol 383.0 NIST
ΔsubH 121.40 kJ/mol 385.5 NIST
ΔsubH 118.00 ± 4.00 kJ/mol 400.0 NIST
ΔvapH 89.60 kJ/mol 398.0 NIST
ΔfusS 6.29 J/mol×K 512.2 NIST
ΔfusS 49.21 J/mol×K 531.4 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 6
=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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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.