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. 2026 Jan 8;16:3839. doi: 10.1038/s41598-025-33948-x

Table 4.

Experimental values of physico-chemical properties of benzenoid hydrocarbons.

Benzenoid Hydrocarbons Inline graphic Inline graphic Inline graphic Inline graphic Inline graphic Inline graphic Inline graphic Inline graphic Inline graphic Inline graphic Inline graphic Inline graphic Inline graphic
Naphthalene 13.68324 221.5 43.8 78.9 44.1 3.45 17.5 123.5 128.17 3.3 128.063 80.6 1.632
Phenanthrene 19.44825 337.4 55.8 146.6 61.9 4.68 24.6 157.7 178.23 4.5 178.078 174 1.715
Anthracene 19.31371 337.4 55.8 146.6 61.9 4.68 24.6 157.7 178.23 4.4 178.078 154 1.715
Chrysene 25.19226 448 67.9 209.1 79.8 5.91 31.6 191.8 228.3 5.7 228.094 264 1.771
Tetraphene 25.10124 436.7 66.7 209.1 79.8 5.91 31.6 191.8 228.3 5.8 228.094 294 1.771
Triphenylene 25.27447 425 65.3 209.1 79.8 5.91 31.6 191.8 228.3 4.9 228.094 217 1.771
Naphthacene 24.93082 436.7 66.7 209.1 79.8 5.91 31.6 191.8 228.3 5.9 228.094 236 1.771
Benzo[a]pyrene 28.222 495 73.4 228.6 90.3 6.4 35.8 196.1 252.3 6 252.094 372 1.887
Benzo[e]pyrene 28.33605 467.5 70.2 228.6 90.3 6.4 35.8 196.1 252.3 6.4 252.094 336 1.887
Perylene 28.24531 467.5 70.2 228.6 90.3 6.4 35.8 196.1 252.3 5.8 252.094 304 1.887
Anthanthrene 31.25883 497.1 73.6 247.2 100.8 6.89 40 200.4 276.3 6.7 276.094 411 2.009
Benzo[ghi]perylene 31.42507 501 74.1 247.2 100.8 6.89 40 200.4 276.3 6.6 276.094 411 2.009
Dibenz[a,h]anthracene 30.88051 524.7 76.9 264.5 97.6 7.14 38.7 225.9 278.3 6.5 278.11 361 1.812
Dibenz[a,j]anthracene 30.87948 524.7 76.9 264.5 97.6 7.14 38.7 225.9 278.3 6.5 278.11 363 1.812
Picene 30.94323 519 76.2 264.5 97.6 7.14 38.7 225.9 278.3 7 278.11 361 1.812
Coronene 34.57184 525.6 77 265.2 111.4 7.38 44.1 204.7 300.4 7.2 300.094 376 2.14
Benzo[c]phenanthrene 25.18749 436.7 66.7 209.1 79.8 5.91 31.6 191.8 228.3 5.7 228.094 266 1.771
Pyrene 22.50546 404 63 168.8 72.5 5.17 28.7 162 202.25 4.9 202.078 217 1.852
Dibenzo[a,e]pyrene 34.06463 552.3 80.2 282 108.1 7.63 42.9 230.2 302.4 7.3 302.11 480 1.913
Dibenzo[a,h]pyrene 35.01609 552.3 80.2 282 108.1 7.63 42.9 230.2 302.4 7 302.11 436 1.913
Dibenzo[a,i]pyrene 33.95415 552.3 80.2 282 108.1 7.63 42.9 230.2 302.4 7.3 302.11 436 1.913
Dibenzo[a,l]pyrene 34.03074 552.3 80.2 282 108.1 7.63 42.9 230.2 302.4 7.2 302.11 480 1.913
Peropyrene 37.08962 579 83.4 298.8 118.7 8.12 47 234.5 326.4 7.9 326.1096 470 2.018
Ovalene 46.49743 641.1 94.6 341.5 150.3 5.23 59.6 247.5 398.5 10 398.1096 696 2.374
Heptacene 41.76752 677 95.8 360.6 133.3 9.6 52.8 294.1 378.5 8.6 378.1409 516 1.867
Bisanthene 40.07786 604.8 86.6 315.2 129.2 8.62 51.2 238.8 350.4 8 350.1096 542 2.13
Dibenzo[a,l]pentacene 42.13737 677 95.8 360.6 133.3 9.6 52.8 294.1 378.5 9 378.1409 568 1.867
Dibenzo[a,l]tetracene 36.5169 604.1 86.5 314.6 115.5 8.37 45.8 260 328.4 7.7 328.1252 464 1.843
Naphtho[2,3-a]pyrene 33.86343 552.3 80.2 282 108.1 7.63 42.9 230.2 302.4 7.3 302.1096 480 1.913
Naphtho[8,1,2-bcd]perylene 37.07919 579 83.4 298.8 118.7 8.12 47 234.5 326.4 7.6 326.1096 564 2.018
Tribenzo[b,n,pqr]perylene 43.06532 653.8 92.8 346 136.5 9.35 54.1 268.6 376.4 7.5 376.1252 622 2.025
Tribenzo[a,fg,op]tetracene 39.8883 629.3 89.7 330.5 126 8.86 49.9 264.3 352.4 8.9 352.1252 593 1.932
Pyreno[4,5-e]pyrene 42.91389 653.8 92.8 346 136.5 9.35 54.1 268.6 376.4 8.9 376.1252 566 2.025
Dibenzo[c,p]chrysene 36.72852 604.1 86.5 314.6 115.5 8.37 45.8 260 328.4 8.2 328.1252 508 1.843
Dibenzo[h,rst]pentaphene 39.80515 629.3 89.7 330.5 126 8.86 49.9 264.3 352.4 8.3 352.1252 541 1.932