Chemo-Informatics: Contradictions DB: Boiling Point
Boiling Point [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 boiling point 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 |
|
472.7 |
472.66 |
453.15 |
470.15 |
|||
|
321.6 |
321.8 |
321.65 |
321.65 |
320.37 |
322.85 |
|
|
473.1 |
472.8 |
475.15 |
475.15 |
|||
|
477.15 |
477.15 |
477 |
479.15 |
|||
|
357.2 |
358.6 |
357.20 |
366.15 |
358 |
358.6 |
|
|
340.9 |
336.2 |
340.88 |
340.88 |
340.9 |
340.6 |
|
|
450.1 |
448.25 |
449.65 |
449.7 |
449.65 |
||
|
375.1 |
375.2 |
386.30 |
375.15 |
375.5 |
375.45 |
|
|
478.2 |
478.15 |
473.55 |
||||
|
389.8 |
390 |
389.80 |
391.15 |
389.7 |
389.15 |
|
|
444.5 |
444.47 |
443.35 |
441.6 |
444.35 |
||
|
475.1 |
475.15 |
475.15 |
469 |
468.15 |
||
|
551.0 |
551.00 |
561.15 |
560.56 |
|||
|
468.1 |
468.15 |
472.65 |
472.65 |
|||
|
453.0 |
452.9 |
452.95 |
453 |
451.7 |
