Chemical Properties of Benz[a]anthracene (CAS 56-55-3)

Benz[a]anthracene

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InChI
InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H
InChI Key
DXBHBZVCASKNBY-UHFFFAOYSA-N
Formula
C18H12
SMILES
c1ccc2cc3c(ccc4ccccc43)cc2c1
Molecular Weight1
228.29
CAS
56-55-3
Other Names
  • 1,2-Benz[a]anthracene
  • 1,2-Benzanthracene
  • 1,2-Benzanthrazen
  • 1,2-Benzanthrene
  • 1,2-Benzoanthracene
  • 2,3-Benzophenanthrene
  • 2,3-Benzphenanthrene
  • BA
  • BENZANTHRENE
  • BENZOANTHRACENE
  • Benzanthracene
  • Benzo[a]anthracene
  • Benzo[b]phenanthrene
  • NSC 30970
  • Rcra waste number U018
  • TETRAPHENE
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Physical Properties

Property Value Unit Source
Δcsolid -8969.00 ± 2.30 kJ/mol NIST
EA [0.39; 0.63] eV Show Hide
EA 0.39 ± 0.10 eV NIST
EA 0.63 ± 0.01 eV NIST
EA 0.46 eV NIST
Δf 513.78 kJ/mol Joback Calculated Property
Δfgas 290.30 ± 6.00 kJ/mol NIST
Δfsolid 170.80 ± 3.30 kJ/mol NIST
Δfus 26.70 kJ/mol Joback Calculated Property
Δsub [119.50; 123.00] kJ/mol Show Hide
Δsub 119.50 ± 5.00 kJ/mol NIST
Δsub 123.00 ± 3.00 kJ/mol NIST
Δsub 123.00 ± 3.00 kJ/mol NIST
Δsub 120.00 kJ/mol NIST
Δvap [96.60; 105.80] kJ/mol Show Hide
Δvap 105.80 ± 1.90 kJ/mol NIST
Δvap 96.60 ± 1.40 kJ/mol NIST
IE [7.35; 7.60] eV Show Hide
IE 7.45 ± 0.05 eV NIST
IE 7.50 ± 0.30 eV NIST
IE 7.52 eV NIST
IE 7.53 eV NIST
IE 7.56 eV NIST
IE 7.50 eV NIST
IE 7.45 eV NIST
IE 7.60 eV NIST
IE 7.35 eV NIST
IE 7.46 ± 0.03 eV NIST
IE 7.41 ± 0.02 eV NIST
IE 7.41 eV NIST
IE 7.56 ± 0.01 eV NIST
IE 7.42 eV NIST
IE 7.47 ± 0.01 eV NIST
log10WS -7.21 Rytting...
logPoct/wat 5.146 Crippen Calculated Property
McVol 182.340 ml/mol McGowan Calculated Property
Pc 2511.00 kPa KDB
Inp [394.44; 2453.00]   Show Hide
Inp 2433.59 NIST
Inp 2432.80 NIST
Inp 2400.00 NIST
Inp 2389.00 NIST
Inp 2403.00 NIST
Inp 2423.00 NIST
Inp 2393.00 NIST
Inp Outlier 2440.00 NIST
Inp Outlier 2441.00 NIST
Inp Outlier 2447.00 NIST
Inp Outlier 2447.00 NIST
Inp Outlier 2452.00 NIST
Inp Outlier 2453.00 NIST
Inp 2418.00 NIST
Inp 2421.00 NIST
Inp Outlier 2445.00 NIST
Inp 2403.00 NIST
Inp 398.96 NIST
Inp 401.97 NIST
Inp 399.22 NIST
Inp 399.00 NIST
Inp 399.71 NIST
Inp 400.00 NIST
Inp 398.20 NIST
Inp 398.50 NIST
Inp 398.60 NIST
Inp 398.60 NIST
Inp 398.69 NIST
Inp 398.51 NIST
Inp 398.53 NIST
Inp 398.57 NIST
Inp 398.26 NIST
Inp 398.55 NIST
Inp 398.59 NIST
Inp 398.60 NIST
Inp 398.62 NIST
Inp 398.63 NIST
Inp 398.64 NIST
Inp 398.64 NIST
Inp 398.63 NIST
Inp 398.72 NIST
Inp 398.33 NIST
Inp 398.36 NIST
Inp 398.10 NIST
Inp 398.50 NIST
Inp 398.22 NIST
Inp 398.14 NIST
Inp 398.40 NIST
Inp 398.69 NIST
Inp 398.50 NIST
Inp 398.77 NIST
Inp 398.60 NIST
Inp 397.55 NIST
Inp 398.76 NIST
Inp 398.50 NIST
Inp 398.20 NIST
Inp 398.36 NIST
Inp 398.36 NIST
Inp 398.69 NIST
Inp 398.76 NIST
Inp 398.40 NIST
Inp 397.70 NIST
Inp 398.31 NIST
Inp 398.40 NIST
Inp 398.30 NIST
Inp 398.40 NIST
Inp 398.60 NIST
Inp 398.70 NIST
Inp 398.60 NIST
Inp 398.36 NIST
Inp 398.40 NIST
Inp 398.70 NIST
Inp 400.29 NIST
Inp 398.50 NIST
Inp 398.76 NIST
Inp 396.46 NIST
Inp 398.41 NIST
Inp 398.50 NIST
Inp 399.10 NIST
Inp 400.00 NIST
Inp 396.38 NIST
Inp 394.44 NIST
Inp 396.70 NIST
Inp 397.95 NIST
Inp 398.46 NIST
Inp 398.47 NIST
Inp 398.50 NIST
Inp 398.59 NIST
Inp 400.00 NIST
Inp Outlier 2440.00 NIST
Inp Outlier 2453.00 NIST
Inp 398.20 NIST
Inp 398.51 NIST
Inp 398.59 NIST
Inp 398.64 NIST
Inp 398.10 NIST
Inp 398.69 NIST
Inp 398.76 NIST
Inp 2403.00 NIST
Tboil [708.00; 710.80] K Show Hide
Tboil Outlier 708.00 K KDB
Tboil 710.80 K NIST
Tboil 710.80 ± 2.00 K NIST
Tboil 710.70 ± 2.00 K NIST
Tboil 710.80 ± 2.00 K NIST
Tboil 710.70 ± 2.00 K NIST
Tc 998.20 K KDB
Tfus [428.00; 434.40] K Show Hide
Tfus 428.00 K KDB
Tfus 431.00 ± 2.00 K NIST
Tfus 430.10 ± 2.00 K NIST
Tfus 434.30 ± 0.40 K NIST
Tfus 432.00 ± 3.00 K NIST
Tfus 434.40 ± 0.60 K NIST
Tfus 433.70 ± 1.40 K NIST
Tfus 434.00 ± 2.00 K NIST
Tfus 430.40 ± 1.00 K NIST
Vc 0.700 m3/kmol KDB
Zc 0.2117830 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
Cp,solid 273.60 J/mol×K 298.15 NIST
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 [20.10; 21.38] kJ/mol [433.50; 434.30] Show Hide
ΔfusH 20.10 kJ/mol 433.50 NIST
ΔfusH 21.38 kJ/mol 434.30 NIST
ΔfusH 21.38 kJ/mol 434.30 NIST
ΔsubH [104.00; 120.50] kJ/mol [293.00; 405.50] Show Hide
ΔsubH 109.00 kJ/mol 293.00 NIST
ΔsubH 117.00 kJ/mol 333.00 NIST
ΔsubH 104.00 ± 2.00 kJ/mol 351.00 NIST
ΔsubH 113.40 kJ/mol 360.00 NIST
ΔsubH 119.70 kJ/mol 363.00 NIST
ΔsubH 104.60 kJ/mol 377.00 NIST
ΔsubH 115.50 kJ/mol 383.00 NIST
ΔsubH 104.60 ± 4.20 kJ/mol 390.00 NIST
ΔsubH 120.50 kJ/mol 405.50 NIST
ΔvapH 91.00 kJ/mol 398.00 NIST
Pvap [1.56e-07; 0.95] kPa [298.15; 510.00] Show Hide
Pvap 1.56e-07 kPa 298.15 Hypothe...
Pvap 2.03e-07 kPa 300.00 Hypothe...
Pvap 7.97e-07 kPa 310.00 Hypothe...
Pvap 2.83e-06 kPa 320.00 Hypothe...
Pvap 9.10e-06 kPa 330.00 Hypothe...
Pvap 2.69e-05 kPa 340.00 Hypothe...
Pvap 7.35e-05 kPa 350.00 Hypothe...
Pvap 1.87e-04 kPa 360.00 Hypothe...
Pvap 4.46e-04 kPa 370.00 Hypothe...
Pvap 1.00e-03 kPa 380.00 Hypothe...
Pvap 2.13e-03 kPa 390.00 Hypothe...
Pvap 4.31e-03 kPa 400.00 Hypothe...
Pvap 8.33e-03 kPa 410.00 Hypothe...
Pvap 0.02 kPa 420.00 Hypothe...
Pvap 0.03 kPa 430.00 Hypothe...
Pvap 0.05 kPa 440.00 Hypothe...
Pvap 0.08 kPa 450.00 Hypothe...
Pvap 0.13 kPa 460.00 Hypothe...
Pvap 0.20 kPa 470.00 Hypothe...
Pvap 0.30 kPa 480.00 Hypothe...
Pvap 0.45 kPa 490.00 Hypothe...
Pvap 0.66 kPa 500.00 Hypothe...
Pvap 0.95 kPa 510.00 Hypothe...

Correlations

Property Value Unit Temperature (K) Source
Pvap [9.92e-05; 9.26e-04] kPa [371.15; 395.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.27171e+01
Coefficient B-1.29437e+04
Coefficient C2.21615e+00
Coefficient D-1.25878e-06
Temperature range, min.371.15
Temperature range, max.395.15
Pvap 9.92e-05 kPa 371.15 Calculated Property
Pvap 1.29e-04 kPa 373.82 Calculated Property
Pvap 1.67e-04 kPa 376.48 Calculated Property
Pvap 2.15e-04 kPa 379.15 Calculated Property
Pvap 2.77e-04 kPa 381.82 Calculated Property
Pvap 3.55e-04 kPa 384.48 Calculated Property
Pvap 4.53e-04 kPa 387.15 Calculated Property
Pvap 5.77e-04 kPa 389.82 Calculated Property
Pvap 7.32e-04 kPa 392.48 Calculated Property
Pvap 9.26e-04 kPa 395.15 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 Benz[a]anthracene.

Mixtures

Sources

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