Chemical Properties of Dibenz[a,h]anthracene (CAS 53-70-3)

Dibenz[a,h]anthracene

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InChI
InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H
InChI Key
LHRCREOYAASXPZ-UHFFFAOYSA-N
Formula
C22H14
SMILES
c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12
Molecular Weight1
278.35
CAS
53-70-3
Other Names
  • 1,2,5,6-DBA
  • 1,2,5,6-Dibenzanthraceen
  • 1,2,5,6-Dibenzanthracene
  • 1,2:5,6-Dibenz(a)anthracene
  • 1,2:5,6-benzanthracene
  • 1,2:5,6-dibenz[a]anthracene
  • 1,2:5,6-dibenzanthracene
  • 1,2:5,6-dibenzoanthracene
  • DB(a,h)A
  • DBA
  • Dibenz(a,h)antracene
  • NSC 22433
  • Rcra waste number U063
  • dibenzo[a,h]anthracene
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Physical Properties

Property Value Unit Source
EA 0.59 ± 0.01 eV NIST
Δf 644.48 kJ/mol Joback Calculated Property
Δfgas 328.00 ± 11.00 kJ/mol NIST
Δfsolid 179.00 ± 10.00 kJ/mol NIST
Δfus 24.50 kJ/mol Solid v...
Δsub [142.00; 162.00] kJ/mol Show Hide
Δsub 148.90 ± 4.20 kJ/mol NIST
Δsub 162.00 ± 6.00 kJ/mol NIST
Δsub 162.00 ± 6.00 kJ/mol NIST
Δsub 142.00 kJ/mol NIST
Δvap 131.10 ± 1.40 kJ/mol NIST
IE [7.38; 7.80] eV Show Hide
IE 7.39 ± 0.01 eV NIST
IE 7.38 ± 0.02 eV NIST
IE 7.60 ± 0.10 eV NIST
IE 7.57 eV NIST
IE 7.58 eV NIST
IE Outlier 7.80 eV NIST
IE 7.42 eV NIST
IE 7.38 eV NIST
IE 7.41 eV NIST
IE 7.38 ± 0.04 eV NIST
log10WS -8.69 Crippen Calculated Property
logPoct/wat 6.299 Crippen Calculated Property
McVol 219.240 ml/mol McGowan Calculated Property
Pc 2347.36 kPa Joback Calculated Property
Inp [488.20; 3137.00]   Show Hide
Inp 3089.00 NIST
Inp 3137.00 NIST
Inp 3137.00 NIST
Inp 3089.00 NIST
Inp 3095.00 NIST
Inp 3114.00 NIST
Inp 3080.00 NIST
Inp 3060.00 NIST
Inp 3108.00 NIST
Inp 3096.00 NIST
Inp 3099.00 NIST
Inp 3137.00 NIST
Inp 495.40 NIST
Inp 496.10 NIST
Inp 495.45 NIST
Inp 494.50 NIST
Inp 494.91 NIST
Inp 495.92 NIST
Inp 493.42 NIST
Inp 490.31 NIST
Inp 493.34 NIST
Inp 493.51 NIST
Inp 492.15 NIST
Inp 488.20 NIST
Inp 495.66 NIST
Inp 492.41 NIST
Inp 495.92 NIST
Inp 491.01 NIST
Inp 496.20 NIST
Inp 495.45 NIST
Inp 495.89 NIST
Inp 495.45 NIST
Inp 495.89 NIST
Inp 495.92 NIST
Inp 499.00 NIST
Inp 489.00 NIST
Inp 491.45 NIST
Inp 491.82 NIST
Inp 494.50 NIST
Inp 495.50 NIST
Inp 499.00 NIST
Inp 494.50 NIST
Inp 491.85 NIST
Inp 491.99 NIST
Inp 496.20 NIST
Inp 494.19 NIST
Inp 499.02 NIST
Inp 495.45 NIST
Inp 495.51 NIST
Inp 493.09 NIST
Inp 493.92 NIST
Inp 495.45 NIST
Inp 501.23 NIST
Inp 495.45 NIST
Inp 490.31 NIST
Inp 495.66 NIST
Tboil 797.20 K NIST
Tc 1089.89 K Joback Calculated Property
Tfus [533.15; 544.20] K Show Hide
Tfus 544.20 ± 0.40 K NIST
Tfus 535.00 ± 5.00 K NIST
Tfus 537.65 ± 1.00 K NIST
Tfus 543.00 ± 2.00 K NIST
Tfus 533.15 ± 2.00 K NIST
Vc 0.848 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [607.64; 691.04] J/mol×K [820.30; 1089.89] Show Hide
Cp,gas 607.64 J/mol×K 820.30 Joback Calculated Property
Cp,gas 622.45 J/mol×K 865.23 Joback Calculated Property
Cp,gas 636.52 J/mol×K 910.16 Joback Calculated Property
Cp,gas 650.13 J/mol×K 955.09 Joback Calculated Property
Cp,gas 663.56 J/mol×K 1000.03 Joback Calculated Property
Cp,gas 677.10 J/mol×K 1044.96 Joback Calculated Property
Cp,gas 691.04 J/mol×K 1089.89 Joback Calculated Property
η [0.0011148; 0.0022584] Pa×s [532.48; 820.30] Show Hide
η 0.0022584 Pa×s 532.48 Joback Calculated Property
η 0.0019125 Pa×s 580.45 Joback Calculated Property
η 0.0016611 Pa×s 628.42 Joback Calculated Property
η 0.0014719 Pa×s 676.39 Joback Calculated Property
η 0.0013254 Pa×s 724.36 Joback Calculated Property
η 0.0012090 Pa×s 772.33 Joback Calculated Property
η 0.0011148 Pa×s 820.30 Joback Calculated Property
ΔfusH [28.40; 31.16] kJ/mol [539.70; 544.20] Show Hide
ΔfusH 28.40 kJ/mol 539.70 NIST
ΔfusH 31.16 kJ/mol 544.20 NIST
ΔfusH 31.16 kJ/mol 544.20 NIST
ΔsubH 141.80 kJ/mol 459.50 NIST
ΔvapH 99.40 kJ/mol 398.00 NIST
Pvap [3.35e-10; 0.10] kPa [298.15; 510.00] Show Hide
Pvap 3.35e-10 kPa 298.15 Hypothe...
Pvap 4.67e-10 kPa 300.00 Hypothe...
Pvap 2.59e-09 kPa 310.00 Hypothe...
Pvap 1.26e-08 kPa 320.00 Hypothe...
Pvap 5.47e-08 kPa 330.00 Hypothe...
Pvap 2.13e-07 kPa 340.00 Hypothe...
Pvap 7.49e-07 kPa 350.00 Hypothe...
Pvap 2.41e-06 kPa 360.00 Hypothe...
Pvap 7.14e-06 kPa 370.00 Hypothe...
Pvap 1.96e-05 kPa 380.00 Hypothe...
Pvap 5.03e-05 kPa 390.00 Hypothe...
Pvap 1.21e-04 kPa 400.00 Hypothe...
Pvap 2.75e-04 kPa 410.00 Hypothe...
Pvap 5.93e-04 kPa 420.00 Hypothe...
Pvap 1.21e-03 kPa 430.00 Hypothe...
Pvap 2.38e-03 kPa 440.00 Hypothe...
Pvap 4.47e-03 kPa 450.00 Hypothe...
Pvap 8.07e-03 kPa 460.00 Hypothe...
Pvap 0.01 kPa 470.00 Hypothe...
Pvap 0.02 kPa 480.00 Hypothe...
Pvap 0.04 kPa 490.00 Hypothe...
Pvap 0.06 kPa 500.00 Hypothe...
Pvap 0.10 kPa 510.00 Hypothe...

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 Dibenz[a,h]anthracene.

Sources

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