Chemo-Informatics: Contradictions DB: Critical Temperature
Critical Temperature [K]
Maybe the source of Database-A and Database-C is same. Almost all data is same. But Database-A and Database-C, they put estimated value without notification for the compounds that do not have value. For Critical Temperature case I want to expect the error within 1K, so I put several compounds that does not meet the error range.
Structure |
DB-A |
DB-B |
DB-C |
DB-D |
DB-E |
DB-F |
DB-G |
|
545.5 |
545.5 |
545.5 |
547.85 |
545.5 |
545.5 |
548 |
|
593.0 |
593.00 |
557.15 |
||||
|
516.2 |
513.9 |
516.25 |
516.25 |
514 |
513.9 |
516.2 |
|
645.0 |
645.0 |
645.0 |
718 |
645.0 |
||
|
638.0 |
614 |
638.0 |
614.45 |
614 |
||
|
593.0 |
593 |
593.00 |
592.95 |
613.1 |
593 |
|
|
498.00 |
475 |
|||||
|
564.4 |
564.4 |
564.4 |
564.35 |
561.3 |
564.5 |
|
|
496.0 |
515.3 |
496.0 |
504.4 |
496 |
||
|
604.0 |
612 |
604.0 |
612.65 |
604 |
612 |
612 |
|
647.0 |
647.0 |
596.55 |
649.6 |
|||
|
718.0 |
718.0 |
690.15 |
||||
|
605.0 |
605.0 |
675.15 |
||||
|
594.0 |
594.0 |
617.85 |
||||
|
480.6 |
480.6 |
480.6 |
515.15 |
497 |
496 |
|
|
724.0 |
724.0 |
658.00 |
724.15 |
658 |
||
|
564.0 |
564.0 |
597.6 |
||||
|
723 |
726 |
723 |
726 |
|||
|
710.0 |
721.0 |
|||||
|
524.0 |
525 |
524.0 |
501.45 |
525 |
||
|
739.00 |
709.15 |
731 |
||||
|
569.1 |
569 |
569.15 |
569.15 |
606 |
569 |
569 |
|
582.3 |
582.2 |
582.25 |
582.25 |
585.4 |
582.2 |
582.2 |
|
525.0 |
545.4 |
525.0 |
537.2 |
524 |
||
|
507.0 |
513 |
507.0 |
513 |
|||
|
628.0 |
628.0 |
628.0 |
628.15 |
624 |
628 |
628 |
|
609.1 |
609 |
609.15 |
609.15 |
605 |
609 |
609 |
