sl_num
int64 1
315
| Poymer name
stringlengths 6
94
| SMILES (Atoms Ce and Th are placeholders for head and tail information, respectively)
stringlengths 10
130
| Experiment Tg (K)
int64 130
685
| Calculated Tg (K)
float64 138
951
| Calculated Tg std. dev. (K)
float64 1.76
74.7
| Experiment density at 300K (g/cc)
float64 0.84
1.95
⌀ | Calculated density at 300K (g/cc)
float64 0.82
2.05
| Calulated density at 300K std. dev. (g/cc)
float64 0
0.01
| Calculated glass CTE (10-6/K)
float64 104
484
⌀ | Calculated glass CTE std. dev. (10-6/K)
float64 2.66
19.5
⌀ | Calculated rubber CTE (10-6/K)
float64 268
1.68k
| Calculated rubber CTE std. dev. (10-6/K)
float64 12.9
290
|
|---|---|---|---|---|---|---|---|---|---|---|---|---|
201 |
Poly(p-chloro styrene)
|
[Ce]CC(C1=CC=C(C=C1)Cl)[Th]
| 389 | 494.992117 | 9.497474 | null | 1.188563 | 0.002623 | 246.119299 | 6.685053 | 770.168075 | 46.007795 |
202 |
Poly(phenylmethylsilane)
|
[Ce][Si](C)(C1=CC=CC=C1)[Th]
| 390 | 529.975106 | 25.805157 | null | 1.929025 | 0.014624 | 216.00373 | 9.930674 | 1,035.345251 | 137.282061 |
203 |
Perfluoropolymer 3
|
[Ce]C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(C1(F)(F))[Th]
| 390 | 481.793244 | 11.191895 | null | 1.047481 | 0.004102 | 248.771097 | 9.491342 | 685.567459 | 31.656077 |
204 |
Poly[2,2-butane bis{4-(2-methylphenyl)}carbonate]
|
[Ce]C1=CC(C)=C(C=C1)C(C)(CC)C1=C(C)C=C(C=C1)OC(=O)O[Th]
| 392 | 474.523536 | 11.614093 | null | 1.203653 | 0.003615 | 222.081467 | 5.833778 | 690.983384 | 34.176652 |
205 |
Poly(o-chloro styrene)
|
[Ce]CC(C1=C(Cl)C=C(C=C1))[Th]
| 392 | 554.123789 | 8.477246 | null | 1.097482 | 0.003525 | 196.791982 | 8.778569 | 781.779588 | 63.48405 |
206 |
Poly(phenyl methacrylate)
|
[Ce]CC(C)(C(=O)OC1=CC=CC=C1)[Th]
| 393 | 501.4578 | 10.772176 | null | 1.337265 | 0.003938 | 204.939218 | 6.026915 | 660.848889 | 28.166769 |
207 |
Polymethacrylonitrile
|
[Ce]CC(C)(C#N)[Th]
| 393 | 502.182679 | 15.022267 | 1.21 | 1.151143 | 0.003824 | 213.088091 | 5.428467 | 716.933376 | 45.824136 |
208 |
Poly(2,5-dichloro styrene)
|
[Ce]CC(C1=C(Cl)C=C(C(Cl)=C1))[Th]
| 393 | 549.875847 | 17.365184 | 1.1 | 1.023853 | 0.003422 | 157.026047 | 5.882703 | 573.640887 | 35.775631 |
209 |
Poly(a-p-dimethyl styrene)
|
[Ce]CC(C)(C1=CC=C(C=C1)C)[Th]
| 394 | 604.758329 | 10.528176 | null | 0.952775 | 0.005186 | 211.980394 | 6.360278 | 890.362128 | 74.528545 |
210 |
Poly(3-fluoro-4-chloro styrene)
|
[Ce]CC(C1=CC(F)=C(C=C1)Cl)[Th]
| 395 | 503.047849 | 9.749165 | null | 1.282686 | 0.004197 | 246.275193 | 7.411 | 760.245549 | 39.02489 |
211 |
Poly[1,1-butane bis(4-phenyl)carbonate]
|
[Ce]C1=CC=C(C=C1)C(CCC)C1=CC=C(C=C1)OC(=O)O[Th]
| 396 | 427.186777 | 21.150356 | null | 1.15611 | 0.002288 | 274.659371 | 5.107762 | 866.521543 | 85.694561 |
212 |
Poly(ethylene-2,6-naphthalenedicarboxylate)
|
[Ce]OCCOC(=O)C2=CC1=CC=C(C=C1C=C2)C(=O)[Th]
| 397 | 483.622355 | 11.442981 | null | 1.264615 | 0.002763 | 177.596804 | 4.77005 | 639.3193 | 49.711754 |
213 |
Poly(m-hydroxymethyl styrene)
|
[Ce]CC(C1=CC(CO)=C(C=C1))[Th]
| 398 | 425.145277 | 15.467453 | null | 1.107983 | 0.002843 | 227.290733 | 9.876033 | 824.536219 | 51.397238 |
214 |
Polyetherimide 1
|
[Ce]OC1=CC=C(C=C1)OC1=CC=C(C=C1)OC1=CC=C2C(=O)N(C(=O)C2=C1)CCCCCCN1C(=O)C2=CC=C(C=C2C1(=O))[Th]
| 401 | 516.04543 | 13.094884 | null | 1.333033 | 0.003822 | 215.751349 | 5.400356 | 680.404064 | 45.372777 |
215 |
Poly(3,4-dichlorostyrene)
|
[Ce]CC(C1=CC(Cl)=C(C=C1)Cl)[Th]
| 401 | 475.460157 | 9.329919 | null | 1.251265 | 0.002776 | 180.461697 | 4.322813 | 637.980319 | 46.807386 |
216 |
Poly(p-t-butyl styrene)
|
[Ce]CC(C1=CC=C(C=C1)C(C)(C)C)[Th]
| 402 | 531.937414 | 24.239738 | 0.95 | 0.90951 | 0.004509 | 343.586687 | 10.9947 | 944.160079 | 57.483871 |
217 |
Poly(hexamethylene isophthalamide)
|
[Ce]NCCCCCCNC(=O)C1=CC=CC(=C1)C(=O)[Th]
| 403 | 424.340749 | 13.600972 | null | 1.148578 | 0.003077 | 230.719688 | 7.79435 | 731.973845 | 60.815563 |
218 |
Poly[1,1-ethane bis(4-phenyl)carbonate]
|
[Ce]C1=CC=C(C=C1)C(C)C1=CC=C(C=C1)OC(=O)O[Th]
| 403 | 431.811679 | 12.834106 | null | 1.209055 | 0.001997 | 227.792905 | 6.484296 | 770.190335 | 69.054141 |
219 |
Poly(2,4-dichloro styrene)
|
[Ce]CC(C1=C(Cl)C=C(C=C1)Cl)[Th]
| 406 | 508.77836 | 12.970945 | null | 1.339898 | 0.003086 | 207.506086 | 7.14328 | 676.262527 | 38.879688 |
220 |
Poly[2,2-butane bis(4-phenyl)carbonate]
|
[Ce]C1=CC=C(C=C1)C(C)(CC)C1=CC=C(C=C1)OC(=O)O[Th]
| 407 | 465.871018 | 10.392227 | null | 1.152645 | 0.002759 | 206.145138 | 5.551288 | 782.783859 | 64.174256 |
221 |
Poly(o-methyl styrene)
|
[Ce]CC(C1=CC=CC=C1(C))[Th]
| 409 | 493.293422 | 11.667582 | 1.027 | 0.989675 | 0.002955 | 245.474632 | 11.764539 | 778.696283 | 43.4568 |
222 |
Poly(a-methyl styrene)
|
[Ce]CC(C)(C1=CC=CC=C1)[Th]
| 409 | 580.31349 | 10.520705 | 1.065 | 0.992293 | 0.004998 | 166.056371 | 7.675636 | 780.003785 | 60.950204 |
223 |
Poly[2,2-pentane bis(4-phenyl)carbonate]
|
[Ce]C1=CC=C(C=C1)C(C)(CCC)C1=CC=C(C=C1)OC(=O)O[Th]
| 410 | 462.353138 | 9.373664 | null | 1.128249 | 0.003337 | 220.70818 | 7.634876 | 842.860887 | 80.699539 |
224 |
Poly(oxycarbonyloxy-2-chloro-1,4-phenyleneisopropylidene-2-methyl- 1,4-phenylene)
|
[Ce]C1=C(C)C=C(C=C1)C(C)(C)C1=CC=C(C(Cl)=C1)OC(=O)O[Th]
| 411 | 550.892913 | 8.390679 | null | 1.28089 | 0.002523 | 162.280883 | 3.702526 | 633.574188 | 48.231749 |
225 |
Poly(m-phenylene isophthalate)
|
[Ce]C(=O)C1=CC=CC(=C1)C(=O)OC1=CC=CC(=C1)O[Th]
| 411 | 488.695525 | 19.458706 | null | 1.060428 | 0.00467 | 247.689569 | 8.729118 | 826.481682 | 57.295477 |
226 |
Poly(p-phenyl styrene)
|
[Ce]CC(C1=CC=C(C=C1)C1=CC=CC=C1)[Th]
| 411 | 508.567528 | 8.873299 | null | 1.211292 | 0.001387 | 191.993096 | 7.468725 | 813.213712 | 67.330776 |
227 |
Poly(p-hydroxymethyl styrene)
|
[Ce]CC(C1=CC=C(C=C1)CO)[Th]
| 413 | 455.805661 | 14.69419 | null | 1.103487 | 0.002838 | 221.399181 | 5.515521 | 859.567536 | 64.426369 |
228 |
Poly [2,2-butane bis {4-(2-chlorophenyl)} carbonate]
|
[Ce]C1=CC=C(C(Cl)=C1)C(C)(CC)C1=C(Cl)C=C(C=C1)OC(=O)O[Th]
| 415 | 516.958675 | 15.161789 | null | 1.081233 | 0.003863 | 194.66903 | 6.620066 | 634.231954 | 34.327531 |
229 |
Poly(p-vinyl pyridine)
|
[Ce]CC(C1=CC=NC=C1)[Th]
| 415 | 574.587151 | 9.243108 | null | 1.276163 | 0.003837 | 170.09948 | 8.599777 | 697.803352 | 56.28564 |
230 |
Poly(2,5-dimethyl styrene)
|
[Ce]CC(C1=C(C)C=C(C(C)=C1))[Th]
| 416 | 508.240109 | 14.13163 | null | 0.953945 | 0.004535 | 275.582125 | 9.211367 | 798.534778 | 32.603108 |
231 |
Poly(p-bromo styrene)
|
[Ce]CC(C1=CC=C(C=C1)Br)[Th]
| 417 | 511.177742 | 13.676984 | null | 1.547997 | 0.004012 | 226.724626 | 8.016302 | 683.815149 | 37.904993 |
232 |
Poly(N-vinyl pyrrolidone)
|
[Ce]CC(N1CCCC1=O)[Th]
| 418 | 528.353013 | 10.039477 | null | 1.144909 | 0.002956 | 227.931125 | 6.549395 | 727.63453 | 34.492828 |
233 |
Poly(2-methyl-4-chloro styrene)
|
[Ce]CC(C1=C(C)C=C(C=C1)Cl)[Th]
| 418 | 569.478099 | 12.854831 | 1.25 | 1.115631 | 0.003857 | 243.153246 | 8.739273 | 610.462741 | 31.408163 |
234 |
Poly(oxycarbonyloxy-2-chloro- 1 ,4-phenyleneisopropylidene-1,4-phenylene)
|
[Ce]C1=CC=C(C=C1)C(C)(C)C1=CC=C(C(Cl)=C1)OC(=O)O[Th]
| 419 | 484.509383 | 10.766223 | null | 1.252298 | 0.002819 | 189.884776 | 6.225376 | 755.866163 | 61.550606 |
235 |
Poly(oxy- 1 ,4-phenylene-oxy- 1 ,4-phenylene-carbonyl-1 ,4-phenylene)
|
[Ce]OC1=CC=C(C=C1)OC1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)[Th]
| 419 | 574.191254 | 11.971504 | null | 1.307358 | 0.004246 | 164.277831 | 6.271139 | 673.514526 | 49.583177 |
236 |
Poly[2,2-propane bis{4-(2-chlorophenyl)}carbonate]
|
[Ce]C1=CC=C(C(Cl)=C1)C(C)(C)C1=C(Cl)C=C(C=C1)OC(=O)O[Th]
| 419 | 488.473161 | 11.659472 | null | 1.225319 | 0.002106 | 172.956069 | 8.853822 | 720.83774 | 61.913861 |
237 |
Poly[methane bis(4-phenyl)carbonate]
|
[Ce]C1=CC=C(C=C1)CC1=CC=C(C=C1)OC(=O)O[Th]
| 420 | 417.472952 | 12.295751 | 1.24 | 1.242377 | 0.002585 | 229.809925 | 5.741566 | 724.187136 | 63.485279 |
238 |
Poly(p-hydroxybenzoate)
|
[Ce]OC1=CC=C(C=C1)C(=O)[Th]
| 420 | 589.934087 | 74.660407 | null | 1.322006 | 0.004556 | 146.341371 | 5.787525 | 540.263186 | 69.558647 |
239 |
Poly[4,4-heptane bis(4-phenyl)carbonate]
|
[Ce]C1=CC=C(C=C1)C(CCC)(CCC)C1=CC=C(C=C1)OC(=O)O[Th]
| 421 | 508.937931 | 14.532729 | null | 1.073118 | 0.003735 | 223.709716 | 8.096654 | 918.74745 | 88.225052 |
240 |
Poly[1,1-(2-methyl propane) bis(4-phenyl)carbonate]
|
[Ce]C1=CC=C(C=C1)C(C(C)C)C1=CC=C(C=C1)OC(=O)O[Th]
| 422 | 467.921977 | 10.226354 | null | 1.140594 | 0.001882 | 224.96766 | 6.199447 | 826.86146 | 75.430894 |
241 |
Poly(N-vinyl carbazole)
|
[Ce]CC([N]1C3=C(C2=CC=CC=C12)C=CC=C3)[Th]
| 423 | 460.844398 | 6.257951 | 1.2 | 1.182003 | 0.002328 | 206.648266 | 8.503161 | 753.838427 | 60.070013 |
242 |
Bisphenol-A polycarbonate
|
[Ce]OC1=CC=C(C=C1)C(C)(C)C1=CC=C(C=C1)OC(=O)[Th]
| 423 | 607.678152 | 17.130974 | 1.2 | 1.113788 | 0.004434 | 177.280548 | 3.580328 | 591.549426 | 27.820454 |
243 |
Poly(p-vinyl naphthalene)
|
[Ce]CC(C1=CC=C2C=CC=CC2=C1)[Th]
| 424 | 532.764366 | 14.590509 | null | 1.057214 | 0.003349 | 212.143998 | 7.1533 | 746.299977 | 42.221491 |
244 |
Polyhexafluoropropylene
|
[Ce]C(F)(F)C(F)(C(F)(F)F)[Th]
| 425 | 570.465316 | 12.584189 | null | 1.886326 | 0.005421 | 221.040558 | 11.893567 | 1,018.192438 | 81.466801 |
245 |
Poly[1 ,1-dichloroethylene bis(4-phenyl)carbonate]
|
[Ce]C1=CC=C(C=C1)C(=C(Cl)Cl)C1=CC=C(C=C1)OC(=O)O[Th]
| 430 | 509.679949 | 8.399226 | null | 1.365467 | 0.002237 | 189.283319 | 4.32331 | 734.706444 | 57.122472 |
246 |
Poly(a-vinyl naphthalene)
|
[Ce]CC(C1=CC=CC2=CC=CC=C12)[Th]
| 432 | 516.932815 | 14.113662 | null | 1.073433 | 0.002559 | 200.571091 | 9.374518 | 664.814705 | 27.816539 |
247 |
Poly(o-hydroxymethyl styrene)
|
[Ce]CC(C1=C(CO)C=C(C=C1))[Th]
| 433 | 486.369257 | 13.137063 | null | 1.113981 | 0.00422 | 203.967941 | 7.560426 | 717.137415 | 41.270195 |
248 |
Poly(methyl a-cyanoacrylate)
|
[Ce]CC(C#N)(C(=O)OC)[Th]
| 433 | 586.382142 | 15.657765 | 1.1 | 1.213627 | 0.004618 | 168.37844 | 6.270606 | 705.619053 | 71.063465 |
249 |
Poly [1,1 -cyclopentane bis(4-phenyl)carbonate]
|
[Ce]C1=CC=C(C=C1)C1(CCCC1)C1=CC=C(C=C1)OC(=O)O[Th]
| 440 | 460.952809 | 10.343998 | null | 1.190993 | 0.001893 | 216.846783 | 6.688189 | 731.779452 | 60.947295 |
250 |
Poly(oxyterephthaloyloxy-2-methyl-1 ,4-phenyleneisopropylidene-3-methyl-1 ,4-phenylene)
|
[Ce]OC(=O)C1=CC=C(C=C1)C(=O)OC1=C(C)C=C(C=C1)C(C)(C)C1=CC(C)=C(C=C1)[Th]
| 444 | 584.875857 | 14.020778 | null | 1.114612 | 0.004329 | 182.167076 | 6.457827 | 797.390105 | 81.923635 |
251 |
Poly[1,1-cyclohexane bis(4-phenyl)carbonate]
|
[Ce]C1=CC=C(C=C1)C1(CCCCC1)C1=CC=C(C=C1)OC(=O)O[Th]
| 444 | 508.380075 | 17.207484 | null | 1.161813 | 0.003645 | 195.751088 | 5.917019 | 729.020487 | 64.30344 |
252 |
Poly[1,1-(1-phenylethane) bis(4-phenyl)carbonate]
|
[Ce]C1=CC=C(C=C1)C(C1=CC=CC=C1)(C)C1=CC=C(C=C1)OC(=O)O[Th]
| 449 | 493.389502 | 9.305112 | null | 1.476716 | 0.005314 | 197.283381 | 9.568817 | 821.846183 | 67.037256 |
253 |
Poly[2,2-hexafluoropropane bis(4-phenyl)carbonate]
|
[Ce]C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)C1=CC=C(C=C1)OC(=O)O[Th]
| 449 | 516.150445 | 12.496562 | 1.2 | 1.178583 | 0.002056 | 188.329575 | 3.69984 | 753.851085 | 64.467179 |
254 |
Poly [2,2-( 1 ,3-dichloro-1 ,1 ,3,3-tetrafluoro)propane bis(4-phenyl)carbonate]
|
[Ce]C1=CC=C(C=C1)C(C(F)(Cl)F)(C(F)(Cl)F)C1=CC=C(C=C1)OC(=O)O[Th]
| 457 | 553.204925 | 12.346241 | null | 1.486361 | 0.005532 | 172.016318 | 8.306813 | 727.519399 | 54.277206 |
255 |
Poly[4,4'-isopropylidene diphenoxy di(4-phenylene)sulfone]
|
[Ce]C1=CC=C(C=C1)C(C)(C)C1=CC=C(C=C1)OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(C=C1)O[Th]
| 458 | 562.943996 | 8.153999 | 1.24 | 1.200998 | 0.002465 | 186.773324 | 5.059726 | 782.997428 | 75.058117 |
256 |
Poly(oxycarbonyloxy-2,6-dichloro-1,4-phenyleneisopropylidene-1,4-phenylene)
|
[Ce]C1=CC=C(C=C1)C(C)(C)C2=CC(=C(C(=C2)Cl)OC(=O)O[Th])Cl
| 459 | 551.225 | 10.911761 | null | 1.295696 | 0.002952 | 175.055596 | 5.253583 | 757.057004 | 65.443938 |
257 |
Poly(perfluorostyrene)
|
[Ce]C(F)(F)C(F)(C1=C(F)C(F)=C(F)(C(F)=C1(F)))[Th]
| 467 | 579.942764 | 14.22431 | null | 1.690979 | 0.009916 | 217.844751 | 9.112226 | 905.938794 | 24.015985 |
258 |
Poly[2,2-propane bis{4-(2,6-dimethylphenyl)} carbonate]
|
[Ce]C1=CC(C)=C(C(C)=C1)C(C)(C)C1=C(C)C=C(C=C1(C))OC(=O)O[Th]
| 473 | 580.425986 | 13.087102 | null | 1.099215 | 0.004649 | 184.54773 | 6.915888 | 754.716455 | 64.555548 |
259 |
Polyetherimide 6
|
[Ce]N1C(=O)C2=CC=C(C=C2C1(=O))OC1=CC=C(C=C1)SC1=CC=C(C=C1)OC1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=CC(=C1)C(=O)C1=CC=CC(=C1)[Th]
| 473 | 631.20964 | 11.929138 | null | 1.28092 | 0.003521 | 139.272242 | 3.313617 | 546.570615 | 41.463345 |
260 |
Poly(a,b,b-trifluoro styrene)
|
[Ce]C(F)(F)C(F)(C1=CC=C(C=C1))[Th]
| 475 | 590.339625 | 14.090481 | null | 1.328435 | 0.00494 | 186.919556 | 9.49199 | 812.733762 | 56.865822 |
261 |
Poly(bisphenol-A terephthalate)
|
[Ce]C1=CC=C(C=C1)C(C)(C)C1=CC=C(C=C1)OC(=O)C1=CC=C(C=C1)C(=O)O[Th]
| 478 | 578.207351 | 10.21377 | null | 1.16728 | 0.004075 | 183.085804 | 5.519654 | 693.086368 | 66.419283 |
262 |
Poly[oxy(2,6-dimethyl-1 ,4-phenylene)]
|
[Ce]OC1=C(C)C=C(C=C1(C))[Th]
| 482 | 568.128931 | 10.439573 | null | 1.040112 | 0.005521 | 245.38728 | 9.875547 | 1,069.636408 | 96.273317 |
263 |
Polyetherimide 2
|
[Ce]OC1=CC=C(C=C1)SC1=CC=C(C=C1)OC1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=CC(=C1)N1C(=O)C2=CC=C(C=C2C1(=O))[Th]
| 482 | 648.716282 | 13.588547 | null | 1.291325 | 0.003685 | 134.888741 | 3.37858 | 535.05385 | 46.299543 |
264 |
Polyetherimide 7
|
[Ce]N1C(=O)C2=CC=C(C=C2C1(=O))OC1=CC=C(C=C1)SC1=CC=C(C=C1)OC1=CC=C2C(=O)N(C(=O)C2=C1)C1=C(C=CC=C1)C(=O)C1=CC=C(C=C1)[Th]
| 485 | 667.506231 | 15.333636 | null | 1.262159 | 0.004197 | 142.802994 | 3.408657 | 551.794829 | 55.0883 |
265 |
Polyetherimide 8
|
[Ce]N1C(=O)C2=CC=C(C=C2C1(=O))OC1=CC=C(C=C1)SC1=CC=C(C=C1)OC1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=CC(=C1)C(=O)C1=CC=C(C=C1)[Th]
| 486 | 626.450859 | 12.024758 | null | 1.28109 | 0.001837 | 137.627895 | 5.667994 | 541.030519 | 41.916064 |
266 |
Poly[oxy(2,6-diphenyl-1,4-phenylene)]
|
[Ce]OC2=C(C1=CC=CC=C1)C=C(C=C2C3=CC=CC=C3)[Th]
| 493 | 562.129839 | 15.244597 | 1.14 | 1.096033 | 0.003484 | 207.924465 | 9.479165 | 808.074223 | 46.708688 |
267 |
Ultem
|
CC(C)(c1ccc(O[[Ce]])cc1)c7ccc(Oc6ccc5c(=O)n(c4cccc(n3c(=O)c2ccc([[Th]])cc2c3=O)c4)c(=O)c5c6)cc7
| 493 | 581.522571 | 9.669242 | 1.29 | 1.248323 | 0.002838 | 180.333788 | 7.595244 | 720.002906 | 60.436469 |
268 |
Poly[4,4'-diphenoxy di(4-phenylene)sulfone]
|
[Ce]OC1=CC=C(C=C1)C1=CC=C(C=C1)OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(C=C1)[Th]
| 493 | 619.910664 | 8.780839 | 1.37 | 1.323144 | 0.003444 | 174.897276 | 5.724712 | 638.125967 | 50.583751 |
269 |
Poly[4,4'-sulfone diphenoxy di(4-phenylene)sulfone]
|
[Ce]C1=CC=C(C=C1)S(=O)(=O)C1=CC=C(C=C1)OC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(C=C1)O[Th]
| 493 | 647.622987 | 16.578975 | 1.27 | 1.220455 | 0.003086 | 138.852023 | 4.727868 | 579.480492 | 57.276787 |
270 |
Polyetherimide 9
|
[Ce]N1C(=O)C2=CC=C(C=C2C1(=O))OC1=CC=C(C=C1)SC1=CC=C(C=C1)OC1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)[Th]
| 494 | 649.932533 | 12.357274 | 1.27 | 1.279514 | 0.00236 | 140.493837 | 4.34039 | 543.214665 | 48.611281 |
271 |
Poly[N,N'-(m,m'-oxydiphenylene-oxy-m-phenylene)pyromellitimide]
|
[Ce]C1=CC=CC(=C1)N6C(=O)C5=CC2=C(C(N(C2=O)C3=CC(=CC=C3)OC4=CC=CC(=C4)O[Th])=O)C=C5C6=O
| 494 | 664.989301 | 13.19328 | null | 1.317516 | 0.002792 | 128.918584 | 3.330247 | 501.366521 | 49.5198 |
272 |
Polyetherimide 3
|
[Ce]OC1=CC=C(C=C1)OC1=CC=C(C=C1)OC1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=CC(=C1)N1C(=O)C2=CC=C(C=C2C1(=O))[Th]
| 500 | 642.415407 | 14.186464 | null | 1.282977 | 0.00429 | 133.382458 | 6.294072 | 546.096414 | 44.758067 |
273 |
Poly[2,2-propane bis{4-(2,6-dichlorophenyl)} carbonate]
|
[Ce]C1=C(Cl)C=C(C=C1(Cl))C(C)(C)C1=CC(Cl)=C(C(Cl)=C1)OC(=O)O[Th]
| 503 | 630.055758 | 13.819027 | null | 1.377049 | 0.004293 | 160.116687 | 6.530099 | 719.281287 | 67.677088 |
274 |
Polycarbonate 2
|
[Ce]C1=CC=C(C=C1)C1(CC2CC1CC2)C1=CC=C(C=C1)OC(=O)O[Th]
| 505 | 594.200012 | 13.075693 | 1.2 | 1.162341 | 0.003633 | 185.156389 | 7.882228 | 704.915809 | 61.644957 |
275 |
Polyetherimide 4
|
[Ce]OC1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)OC1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=CC(=C1)N1C(=O)C2=CC=C(C=C2C1(=O))[Th]
| 512 | 661.680604 | 7.581415 | null | 1.279995 | 0.004047 | 120.249082 | 3.622462 | 523.309064 | 53.085187 |
276 |
Polyimide 10
|
[Ce]N1C(=O)C2=CC=C(C=C2C1(=O))C(=O)C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=CC(=C1)C(=O)C1=CC=CC(=C1)[Th]
| 513 | 743.820416 | 34.323306 | null | 1.2891 | 0.0044 | 111.627371 | 5.562186 | 438.836856 | 65.712474 |
277 |
Polycarbonate 3
|
[Ce]C1=CC=C(C=C1)C2(CC3C4C(C2C3)CCC4)C5=CC=C(C=C5)OC(=O)O[Th]
| 520 | 638.191394 | 11.001465 | null | 1.136714 | 0.002872 | 194.531369 | 3.759403 | 701.308731 | 67.435161 |
278 |
Polyetherimide 5
|
[Ce]OC1=CC=C(C=C1)C1=CC=C(C=C1)OC1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=CC(=C1)N1C(=O)C2=CC=C(C=C2C1(=O))[Th]
| 520 | 692.678433 | 20.275694 | null | 1.260882 | 0.003899 | 128.082142 | 4.707872 | 536.649206 | 64.636433 |
279 |
Poly[2,2-propane bis{4-(2,6-dibromophenyl)}carbonate]
|
[Ce]C1=C(Br)C=C(C=C1(Br))C(C)(C)C1=CC(Br)=C(C(Br)=C1)OC(=O)O[Th]
| 523 | 674.771114 | 14.330258 | 1.953 | 1.93182 | 0.003486 | 145.498417 | 4.449596 | 612.914889 | 68.223116 |
280 |
Polyimide 1F
|
[Ce]N1C(=O)C2=CC=C(C=C2C1(=O))C(C(F)(F)F)(C(F)(F)F)C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=CC(=C1)C(=O)C1=CC=CC(=C1)[Th]
| 533 | 736.2298 | 36.282392 | null | 1.36259 | 0.002571 | 123.270116 | 6.648918 | 508.130757 | 78.707098 |
281 |
Polyquinoline 5
|
[Ce]C1=CC(C2=CC=CC=C2)=C2C=C(OC3=CC4=C(C=C(N=C4C=C3)C3=CC=C(OC4=CC=C([Th])C=C4)C=C3)C3=CC=CC=C3)C=CC2=N1
| 539 | 652.764732 | 13.185124 | null | 1.141164 | 0.003619 | 161.160354 | 8.51805 | 711.896326 | 78.585886 |
282 |
Polyquinoline 1
|
[Ce]C1=NC2=C(C=CC=C2)C(=C1)C1=CC=C(OC2=CC=C(C=C2)C2=CC(=NC3=C2C=CC=C3)C2=CC=CC([Th])=C2)C=C1
| 541 | 706.784048 | 12.409729 | null | 1.127514 | 0.002716 | 150.634957 | 5.658206 | 664.005581 | 85.087044 |
283 |
Poly[3,5-(4-phenyl-1,2,4-triazole)-1,4-phenylene-3,5-(4-phenyl-1,2,4-triazole)-1,3-phenylene]
|
[Ce]C1=CC=C(C=C1)C2=NN=C([N]2C3=CC=CC=C3)C4=CC(=CC=C4)C5=NN=C([N]5C6=CC=CC=C6)[Th]
| 543 | 644.79643 | 15.574184 | null | 1.148392 | 0.003751 | 149.347123 | 6.496089 | 627.853529 | 59.489528 |
284 |
Poly(m-phenylene isophthalamide)
|
[Ce]C(=O)C1=CC=CC(=C1)C(=O)NC1=CC=CC(=C1)N[Th]
| 545 | 679.997581 | 8.212657 | null | 1.26788 | 0.002294 | 119.776072 | 2.828165 | 540.555428 | 56.167256 |
285 |
Polyquinoline 2
|
[Ce]C1=NC2=C(C=CC=C2)C(C2=CC=C(OC3=CC=C(C=C3)C3=C(C4=CC=CC=C4)C(=NC4=C3C=CC=C4)C3=CC=CC([Th])=C3)C=C2)=C1C1=CC=CC=C1
| 546 | 695.308978 | 16.116436 | null | 1.076331 | 0.004461 | 172.819535 | 5.374188 | 682.275752 | 83.160425 |
286 |
Torlon
|
[Ce]NC(=O)C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=C(C=C1)CC1=CC=C(C=C1)[Th]
| 550 | 756.9385 | 46.294189 | null | 1.244048 | 0.004983 | 131.960239 | 6.282135 | 517.153901 | 79.073942 |
287 |
Polyimide 3F
|
[Ce]N1C(=O)C2=CC=C(C=C2C1(=O))C(C(F)(F)F)(C(F)(F)F)C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=CC(=C1)C(=O)C1=CC=C(C=C1)[Th]
| 561 | 752.291575 | 44.509849 | null | 1.359223 | 0.004268 | 121.479878 | 4.28836 | 487.196255 | 79.480347 |
288 |
Polyimide 2F
|
[Ce]N1C(=O)C2=CC=C(C=C2C1(=O))C(C(F)(F)F)(C(F)(F)F)C1=CC=C2C(=O)N(C(=O)C2=C1)C1=C(C=CC=C1)C(=O)C1=CC=C(C=C1)[Th]
| 562 | 801.036948 | 65.180714 | null | 1.330732 | 0.005933 | 133.344696 | 9.867201 | 432.555245 | 77.123901 |
289 |
Polyquinoline 9
|
[Ce]C1=CC(C2=CC=CC=C2)=C2C=C(OC3=CC4=C(C=C(N=C4C=C3)C3=CC=C([Th])C=C3)C3=CC=CC=C3)C=CC2=N1
| 573 | 680.852735 | 38.072063 | null | 1.121125 | 0.006773 | 156.5036 | 10.000973 | 665.292917 | 99.186694 |
290 |
Polyquinoline 6
|
[Ce]C1=C(C2=CC=CC=C2)C(C2=CC=CC=C2)=C2C=C(OC3=CC4=C(C5=CC=CC=C5)C(C5=CC=CC=C5)=C(N=C4C=C3)C3=CC=C(OC4=CC=C([Th])C=C4)C=C3)C=CC2=N1
| 578 | 656.674492 | 17.243702 | null | 1.084903 | 0.006463 | 174.378635 | 10.242537 | 742.709311 | 88.222853 |
291 |
Poly(quinoxaline-2,7-diylquinoxaline-7,2-diyl-p-terphenyl-4,4'-ylene)
|
[Ce]C1=CN=C2C=CC(=CC2=N1)C1=CC=C2N=CC(=NC2=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)[Th]
| 578 | 770.593167 | 65.703045 | null | 1.140154 | 0.007874 | 143.221138 | 5.368952 | 406.21362 | 67.802019 |
292 |
Poly(quinoxaline-2,7-diyloxyquinoxaline-7,2-diyl-1,4-phenylene)
|
[Ce]C1=CN=C2C=CC(=CC2=N1)OC1=CC=C2N=CC(=NC2=C1)C1=CC=C(C=C1)[Th]
| 579 | 685.53976 | 15.860816 | null | 1.238703 | 0.002804 | 131.331028 | 4.865372 | 549.620709 | 65.508424 |
293 |
Polyphenolphthalein 2
|
[Ce]C1=CC=C(C=C1)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(C=C1)C(=O)OC1=CC=C(C=C1)C1=CC=C(C=C1)OC(=O)[Th]
| 580 | 721.286659 | 17.829827 | null | 1.207639 | 0.005111 | 161.957358 | 11.525242 | 587.866155 | 92.938033 |
294 |
Polyquinoline 7
|
[Ce]C1=CC(C2=CC=CC=C2)=C2C=C(OC3=CC4=C(C=C(N=C4C=C3)C3=CC=C(C=C3)C3=CC=C([Th])C=C3)C3=CC=CC=C3)C=CC2=N1
| 581 | 680.766216 | 24.285357 | null | 1.107045 | 0.006261 | 156.262814 | 6.371924 | 676.079744 | 103.210532 |
295 |
Polyphenolphthalein 3
|
[Ce]C1=CC=C(C=C1)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(C=C1)C(=O)OC1=CC=C(C=C1)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(C=C1)OC(=O)[Th]
| 583 | 767.799341 | 35.594602 | null | 1.21454 | 0.006011 | 160.050752 | 6.129142 | 540.948228 | 88.901924 |
296 |
Polyimide 4F
|
[Ce]N1C(=O)C2=CC=C(C=C2C1(=O))C(C(F)(F)F)(C(F)(F)F)C1=CC=C2C(=O)N(C(=O)C2=C1)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)[Th]
| 584 | 799.468052 | 20.540031 | null | 1.342328 | 0.003618 | 123.596384 | 8.109815 | 405.751263 | 66.987356 |
297 |
Poly(quinoxaline-2,7-diylcarbonylquinoxaline-7,2-diyl-1,4-phenylene)
|
[Ce]C1=CN=C2C=CC(=CC2=N1)C(=O)C1=CC=C2N=CC(=NC2=C1)C1=CC=C(C=C1)[Th]
| 591 | 770.830371 | 21.412105 | null | 1.219082 | 0.003175 | 121.197551 | 5.241476 | 439.589307 | 75.448072 |
298 |
Polyphenolphthalein 1
|
[Ce]C1=CC=C(C=C1)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(C=C1)C(=O)NC1=CC=C(C=C1)OC1=CC=C(C=C1)NC(=O)[Th]
| 593 | 711.246323 | 9.766804 | null | 1.219744 | 0.003711 | 142.229058 | 7.181845 | 568.723969 | 74.684998 |
299 |
Polyquinoline 3
|
[Ce]C1=NC2=C(C=CC=C2)C(=C1)C1=CC=C(OC2=CC=C(C=C2)C2=CC(=NC3=C2C=CC=C3)C2=CC=C(OC3=CC=C([Th])C=C3)C=C2)C=C1
| 599 | 663.982218 | 10.707221 | null | 1.14438 | 0.004264 | 159.382438 | 4.701018 | 694.499461 | 85.518813 |
300 |
Poly(p-phenylene terephthalamide)
|
[Ce]C(=O)C1=CC=C(C=C1)C(=O)NC1=CC=C(C=C1)N[Th]
| 600 | 676.004839 | 63.625416 | null | 1.319239 | 0.004593 | 125.445383 | 6.576268 | 438.051974 | 62.761762 |
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