Chemical Properties of Benzo[e]pyrene (CAS 192-97-2)

Benzo[e]pyrene

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InChI
InChI=1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H
InChI Key
TXVHTIQJNYSSKO-UHFFFAOYSA-N
Formula
C20H12
SMILES
c1ccc2c(c1)c1cccc3ccc4cccc2c4c31
Molecular Weight1
252.31
CAS
192-97-2
Other Names
  • 1,2-benzopyrene
  • 192-97-2
  • 4,5-Benzopyrene
  • 4,5-Benzpyrene
  • 9,10-Benzpyrene
  • B(e)P
  • Benz(e)pyrene
  • Benzo(e)pyrene
  • Benzo(l)pyrene
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Physical Properties

Property Value Unit Source
EA 0.53 ± 0.01 eV NIST
Δf 621.88 kJ/mol Joback Calculated Property
Δfgas 464.81 kJ/mol Joback Calculated Property
Δfus 31.48 kJ/mol Joback Calculated Property
Δvap [105.00; 118.20] kJ/mol Show Hide
Δvap 118.20 ± 0.30 kJ/mol NIST
Δvap 105.00 ± 1.50 kJ/mol NIST
IE [7.15; 7.43] eV Show Hide
IE 7.41 eV NIST
IE 7.43 ± 0.04 eV NIST
IE 7.37 eV NIST
IE 7.19 eV NIST
IE 7.15 eV NIST
log10WS [-7.80; -7.80]   Show Hide
log10WS -7.80 Aq. Sol...
log10WS -7.80 Estimat...
logPoct/wat 5.737 Crippen Calculated Property
McVol 195.360 ml/mol McGowan Calculated Property
Pc 2608.40 kPa Joback Calculated Property
Inp [439.10; 2817.50]   Show Hide
Inp 2753.00 NIST
Inp 2753.00 NIST
Inp Outlier 2766.00 NIST
Inp Outlier 2799.00 NIST
Inp Outlier 2801.00 NIST
Inp Outlier 2806.00 NIST
Inp Outlier 2817.00 NIST
Inp Outlier 2816.00 NIST
Inp Outlier 2816.00 NIST
Inp Outlier 2794.40 NIST
Inp Outlier 2770.65 NIST
Inp 2751.03 NIST
Inp Outlier 2817.50 NIST
Inp Outlier 2816.00 NIST
Inp 452.20 NIST
Inp 452.60 NIST
Inp 452.10 NIST
Inp 453.30 NIST
Inp 453.30 NIST
Inp 450.73 NIST
Inp 451.80 NIST
Inp 453.12 NIST
Inp 452.70 NIST
Inp 452.22 NIST
Inp 451.28 NIST
Inp 452.36 NIST
Inp 451.53 NIST
Inp 454.10 NIST
Inp 449.40 NIST
Inp 452.40 NIST
Inp 452.70 NIST
Inp 453.10 NIST
Inp 451.10 NIST
Inp 452.86 NIST
Inp 451.24 NIST
Inp 452.70 NIST
Inp 452.85 NIST
Inp 449.80 NIST
Inp 452.29 NIST
Inp 450.73 NIST
Inp 439.10 NIST
Inp 452.93 NIST
Inp 452.29 NIST
Inp 452.70 NIST
Inp 452.93 NIST
Inp 452.70 NIST
Inp 444.40 NIST
Inp 449.38 NIST
Inp 449.47 NIST
Inp 450.70 NIST
Inp 451.80 NIST
Inp 452.70 NIST
Inp 451.80 NIST
Inp 450.10 NIST
Inp 450.12 NIST
Inp 452.86 NIST
Inp 452.94 NIST
Inp 450.73 NIST
Inp 452.14 NIST
Inp 452.71 NIST
Inp 450.75 NIST
Inp 452.65 NIST
Inp 449.76 NIST
Inp 450.73 NIST
Inp 455.90 NIST
Inp 450.73 NIST
Inp 441.53 NIST
Inp 449.62 NIST
Inp 450.43 NIST
Inp 450.73 NIST
Inp 450.82 NIST
Inp 451.25 NIST
Inp 452.23 NIST
Inp Outlier 2817.50 NIST
Inp 439.10 NIST
Inp 452.70 NIST
Inp 451.80 NIST
Inp 452.86 NIST
Inp 450.75 NIST
Inp 450.73 NIST
Inp 450.82 NIST
Inp Outlier 2794.40 NIST
Tboil 766.84 K Joback Calculated Property
Tc 1030.60 K Joback Calculated Property
Tfus 450.65 K Aq. Sol...
Vc 0.765 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [521.16; 597.00] J/mol×K [766.84; 1030.60] Show Hide
Cp,gas 521.16 J/mol×K 766.84 Joback Calculated Property
Cp,gas 534.69 J/mol×K 810.80 Joback Calculated Property
Cp,gas 547.49 J/mol×K 854.76 Joback Calculated Property
Cp,gas 559.83 J/mol×K 898.72 Joback Calculated Property
Cp,gas 572.01 J/mol×K 942.68 Joback Calculated Property
Cp,gas 584.31 J/mol×K 986.64 Joback Calculated Property
Cp,gas 597.00 J/mol×K 1030.60 Joback Calculated Property
η [0.0022895; 0.0032474] Pa×s [516.22; 766.84] Show Hide
η 0.0032474 Pa×s 516.22 Joback Calculated Property
η 0.0029976 Pa×s 557.99 Joback Calculated Property
η 0.0027980 Pa×s 599.76 Joback Calculated Property
η 0.0026352 Pa×s 641.53 Joback Calculated Property
η 0.0025002 Pa×s 683.30 Joback Calculated Property
η 0.0023865 Pa×s 725.07 Joback Calculated Property
η 0.0022895 Pa×s 766.84 Joback Calculated Property
ΔfusH [2.51; 16.57] kJ/mol [426.20; 454.40] Show Hide
ΔfusH 2.51 kJ/mol 426.20 NIST
ΔfusH 13.80 kJ/mol 451.30 NIST
ΔfusH 16.57 kJ/mol 454.40 NIST
ΔfusH 16.57 kJ/mol 454.40 NIST
ΔsubH [117.90; 119.10] kJ/mol [383.00; 391.00] Show Hide
ΔsubH 117.90 kJ/mol 383.00 NIST
ΔsubH 119.10 kJ/mol 391.00 NIST
ΔvapH 92.00 kJ/mol 398.00 NIST
Pvap [6.94e-09; 0.27] kPa [298.15; 510.00] Show Hide
Pvap 6.94e-09 kPa 298.15 Hypothe...
Pvap 9.35e-09 kPa 300.00 Hypothe...
Pvap 4.34e-08 kPa 310.00 Hypothe...
Pvap 1.79e-07 kPa 320.00 Hypothe...
Pvap 6.65e-07 kPa 330.00 Hypothe...
Pvap 2.24e-06 kPa 340.00 Hypothe...
Pvap 6.93e-06 kPa 350.00 Hypothe...
Pvap 1.97e-05 kPa 360.00 Hypothe...
Pvap 5.23e-05 kPa 370.00 Hypothe...
Pvap 1.30e-04 kPa 380.00 Hypothe...
Pvap 3.02e-04 kPa 390.00 Hypothe...
Pvap 6.64e-04 kPa 400.00 Hypothe...
Pvap 1.39e-03 kPa 410.00 Hypothe...
Pvap 2.76e-03 kPa 420.00 Hypothe...
Pvap 5.27e-03 kPa 430.00 Hypothe...
Pvap 9.65e-03 kPa 440.00 Hypothe...
Pvap 0.02 kPa 450.00 Hypothe...
Pvap 0.03 kPa 460.00 Hypothe...
Pvap 0.05 kPa 470.00 Hypothe...
Pvap 0.08 kPa 480.00 Hypothe...
Pvap 0.12 kPa 490.00 Hypothe...
Pvap 0.18 kPa 500.00 Hypothe...
Pvap 0.27 kPa 510.00 Hypothe...
ΔfusS [5.89; 36.46] J/mol×K [426.20; 454.40] Show Hide
ΔfusS 5.89 J/mol×K 426.20 NIST
ΔfusS 36.46 J/mol×K 454.40 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 523.00 K 0.45 NIST

Similar Compounds

Tetrabenzo[a,cd,f,lm]perylene. Benzo[a]coronene. Dibenzo[fg,mn]phenanthro[2,1,10,9,8,7-vwxyza,b]heptaphene. Tetrabenzo[a,c,hi,mn]naphthacene. Dibenzo[fg,ij]naphtho[7,8,1,2,3-pqrst]pentaphene. Anthra[3,2,1,9,8-rstuva]benzo[ij]pentaphene. Benzo[h]phenanthro[2,1,10,9,8,7-pqrstuv]pentaphene. Dibenzo[cd,n]naphtho[3,2,1,8-pqra]perylene. Dinaphtho[2,1,8-fgh!7',8',1',2',3'-pqrst]pentaphene. Dibenzo[de,ij]naphtho[3,2,1,8,7-rstuv]pentaphene. Dibenzo[ij,rst]naphtho[2,1,8,7-defg]pentaphene. Dibenzo[j,lm]naphtho[1,8-ab]perylene. Benzo[qr]naphtho[3,2,1,8-defg]chrysene. Dibenzo[f,pqr]picene. Dibenzo[a,j]coronene.

Find more compounds similar to Benzo[e]pyrene.

Sources

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