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
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Physical Properties

Property Value Unit Source
PAff [828.90; 840.90] kJ/mol Show Hide
PAff 840.90 kJ/mol NIST
PAff 828.90 kJ/mol NIST
BasG [804.60; 810.10] kJ/mol Show Hide
BasG 810.10 kJ/mol NIST
BasG 804.60 kJ/mol NIST
Δcsolid -8943.40 ± 2.10 kJ/mol NIST
EA [0.32; 0.40] eV Show Hide
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; 131.00] kJ/mol Show Hide
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 [97.00; 106.20] kJ/mol Show Hide
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
log10WS [-8.06; -8.06]   Show Hide
log10WS -8.06 Aq. Sol...
log10WS -8.06 Estimat...
logPoct/wat 5.146 Crippen Calculated Property
McVol 182.340 ml/mol McGowan Calculated Property
Pc 2511.00 kPa KDB
Inp [2397.00; 2494.90]   Show Hide
Inp 2406.00 NIST
Inp 2429.00 NIST
Inp 2438.00 NIST
Inp 2439.00 NIST
Inp 2447.00 NIST
Inp 2480.00 NIST
Inp 2486.00 NIST
Inp 2488.00 NIST
Inp 2491.00 NIST
Inp 2461.90 NIST
Inp 2408.00 NIST
Inp 2456.00 NIST
Inp 2489.00 NIST
Inp 2490.00 NIST
Inp 2472.30 NIST
Inp 2471.80 NIST
Inp 2434.20 NIST
Inp 2472.30 NIST
Inp 2494.90 NIST
Inp 2474.40 NIST
Inp 2442.66 NIST
Inp 2442.50 NIST
Inp 2434.20 NIST
Inp 2472.30 NIST
Inp 2494.90 NIST
Inp 2412.30 NIST
Inp 2471.80 NIST
Inp 2463.10 NIST
Inp 2432.20 NIST
Inp 2465.00 NIST
Inp 2454.00 NIST
Inp 2400.00 NIST
Inp 2400.00 NIST
Inp 2400.00 NIST
Inp 2400.00 NIST
Inp 2400.00 NIST
Inp 2413.00 NIST
Inp 2413.00 NIST
Inp 2413.00 NIST
Inp 2413.00 NIST
Inp 2422.00 NIST
Inp 2422.00 NIST
Inp 2424.00 NIST
Inp 2431.00 NIST
Inp 2434.00 NIST
Inp 2437.00 NIST
Inp 2397.00 NIST
Inp 2409.82 NIST
Inp 2471.68 NIST
Inp 2486.00 NIST
Inp 2443.00 NIST
Inp 2441.00 NIST
Inp 2401.00 NIST
Inp 2450.00 NIST
Inp 2451.00 NIST
Inp 2457.00 NIST
Inp 2458.00 NIST
Inp 2462.00 NIST
Inp 2463.00 NIST
Inp 2491.00 NIST
Inp 2492.00 NIST
Inp 2428.00 NIST
Inp 2453.00 NIST
Inp 2456.00 NIST
Inp 2411.00 NIST
Inp 2465.00 NIST
Inp 2472.30 NIST
Inp 2474.40 NIST
Inp 2494.90 NIST
Inp 2465.00 NIST
Inp 2400.00 NIST
Inp 2413.00 NIST
Inp 2434.00 NIST
Inp 2406.00 NIST
Inp 2480.00 NIST
Inp 2408.00 NIST
Inp 2411.00 NIST
Tboil [721.15; 721.20] K Show Hide
Tboil 721.15 K KDB
Tboil 721.20 K NIST
Tc 984.20 K KDB
Tfus [527.35; 531.40] K Show Hide
Tfus 529.18 K Aq. Sol...
Tfus 528.90 K KDB
Tfus Outlier 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 0.700 m3/kmol KDB
Zc 0.2147950 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [468.00; 543.24] J/mol×K [704.82; 968.39] Show Hide
Cp,gas 468.00 J/mol×K 704.82 Joback Calculated Property
Cp,gas 482.86 J/mol×K 748.75 Joback Calculated Property
Cp,gas 496.51 J/mol×K 792.68 Joback Calculated Property
Cp,gas 509.15 J/mol×K 836.61 Joback Calculated Property
Cp,gas 521.02 J/mol×K 880.54 Joback Calculated Property
Cp,gas 532.31 J/mol×K 924.47 Joback Calculated Property
Cp,gas 543.24 J/mol×K 968.39 Joback Calculated Property
η [0.0007153; 0.0017235] Pa×s [442.18; 704.82] Show Hide
η 0.0017235 Pa×s 442.18 Joback Calculated Property
η 0.0013935 Pa×s 485.95 Joback Calculated Property
η 0.0011669 Pa×s 529.73 Joback Calculated Property
η 0.0010040 Pa×s 573.50 Joback Calculated Property
η 0.0008825 Pa×s 617.27 Joback Calculated Property
η 0.0007890 Pa×s 661.05 Joback Calculated Property
η 0.0007153 Pa×s 704.82 Joback Calculated Property
ΔfusH [3.22; 26.15] kJ/mol [512.20; 531.40] Show Hide
ΔfusH 3.22 kJ/mol 512.20 NIST
ΔfusH 23.60 kJ/mol 527.00 NIST
ΔfusH 26.15 kJ/mol 531.40 NIST
ΔfusH 26.15 kJ/mol 531.40 NIST
ΔsubH [118.00; 121.40] kJ/mol [293.00; 400.00] Show Hide
ΔsubH 118.00 kJ/mol 293.00 NIST
ΔsubH 119.00 kJ/mol 353.00 NIST
ΔsubH 118.80 kJ/mol 383.00 NIST
ΔsubH 121.40 kJ/mol 385.50 NIST
ΔsubH 118.00 ± 4.00 kJ/mol 400.00 NIST
ΔvapH [89.60; 106.18] kJ/mol [298.00; 398.00] Show Hide
ΔvapH 106.18 kJ/mol 298.00 Enthalp...
ΔvapH 89.60 kJ/mol 398.00 NIST
Psub [1.74e-05; 3.79e-04] kPa [372.40; 408.60] Show Hide
Psub 1.74e-05 kPa 372.40 Vapor P...
Psub 3.72e-05 kPa 380.70 Vapor P...
Psub 5.37e-05 kPa 385.20 Vapor P...
Psub 7.61e-05 kPa 389.20 Vapor P...
Psub 7.50e-05 kPa 389.40 Vapor P...
Psub 1.03e-04 kPa 393.60 Vapor P...
Psub 1.36e-04 kPa 394.20 Vapor P...
Psub 1.48e-04 kPa 396.10 Vapor P...
Psub 1.68e-04 kPa 398.10 Vapor P...
Psub 1.58e-04 kPa 398.20 Vapor P...
Psub 2.02e-04 kPa 400.00 Vapor P...
Psub 2.12e-04 kPa 400.40 Vapor P...
Psub 2.63e-04 kPa 402.80 Vapor P...
Psub 2.54e-04 kPa 403.00 Vapor P...
Psub 2.77e-04 kPa 404.80 Vapor P...
Psub 2.92e-04 kPa 404.90 Vapor P...
Psub 3.06e-04 kPa 405.10 Vapor P...
Psub 3.36e-04 kPa 406.80 Vapor P...
Psub 3.79e-04 kPa 408.60 Vapor P...
ρl 1278.44 kg/m3 293.10 KDB
ΔfusS [6.29; 49.21] J/mol×K [512.20; 531.40] Show Hide
ΔfusS 6.29 J/mol×K 512.20 NIST
ΔfusS 49.21 J/mol×K 531.40 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.32; 201.39] kPa [538.15; 766.15] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.44202e+01
Coefficient B-5.84669e+03
Coefficient C-1.24711e+02
Temperature range, min.538.15
Temperature range, max.766.15
Pvap 1.32 kPa 538.15 Calculated Property
Pvap 2.99 kPa 563.48 Calculated Property
Pvap 6.19 kPa 588.82 Calculated Property
Pvap 11.88 kPa 614.15 Calculated Property
Pvap 21.38 kPa 639.48 Calculated Property
Pvap 36.42 kPa 664.82 Calculated Property
Pvap 59.15 kPa 690.15 Calculated Property
Pvap 92.16 kPa 715.48 Calculated Property
Pvap 138.44 kPa 740.82 Calculated Property
Pvap 201.39 kPa 766.15 Calculated Property
Pvap [1.03; 2366.14] kPa [531.15; 979.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.25778e+02
Coefficient B-1.72689e+04
Coefficient C-1.49941e+01
Coefficient D3.01277e-06
Temperature range, min.531.15
Temperature range, max.979.00
Pvap 1.03 kPa 531.15 Calculated Property
Pvap 5.14 kPa 580.91 Calculated Property
Pvap 18.75 kPa 630.67 Calculated Property
Pvap 54.12 kPa 680.43 Calculated Property
Pvap 130.84 kPa 730.19 Calculated Property
Pvap 276.09 kPa 779.96 Calculated Property
Pvap 524.57 kPa 829.72 Calculated Property
Pvap 918.84 kPa 879.48 Calculated Property
Pvap 1510.99 kPa 929.24 Calculated Property
Pvap 2366.14 kPa 979.00 Calculated Property

Similar Compounds

Benzo[c]naphtho[2,1-m]pentaphene. Benzo[a]heptacene. Benzo[j]benzo[2,1-a!3,4-a']dianthracene. Benzo[bc]naphtho[1,2,3-ef]coronene. Anthra[9,1,2-abc]coronene. Dibenzo[fgh,pqr]trinaphthylene. Dibenzo[fg,ij]naphtho[2,1,8-uva]pentaphene. Chryseno[2,1-b]picene. Dibenzo[c,rst]pentaphene. Benzo[c]naphtho[8,1,2-ghi]chrysene. Dibenzo[de,ij]pentaphene. Naphtho[2,1,8-uva]pentaphene. Dibenzo[b,tuv]picene. Naphtho[2,1-b]perylene. Benzo[mno]naphtho[1,2-c]chrysene.

Find more compounds similar to Chrysene.

Mixtures

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.