Problems encountered in property estimation
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I tried to calculate the TB of dodecylbenzenesulfonic acid after entering its molecular structure, but it was not possible to do so. It was later found that no other organic sulfonic acids could be used to calculate TB! I don’t know what’s wrong there; I hope experts can give some advice! ! ! !
At atmospheric pressure, its boiling point is 82°C. Does Curry lack certain physical properties of that component? I suggest you try searching using other software. Also, if you are creating a property database or performing calculations, have you chosen the right method for determining properties?
Take a look at the notes in the control panel. Whether it is an ERROR or a warning, ASPEN will provide an explanation of the calculation results, so it is recommended to take a look first.
Estimating TB with Aspen using a structural formula is inaccurate. I calculated it as butene-1. The error is several degrees. Could you show me your specific steps for making the estimation, so I can check if they are the same as the method I use? Is there something wrong with the settings? Of course. If you don’t agree to let me see it, then it’s fine.
I have trouble sending attachments! It just indicates that there are no functional groups! Flavate; you can try p-toluenesulfonic acid!
The database contains the physical properties of p-toluenesulfonic acid, but they can’t be used; I don’t know why (Boyler point)
Hint: No matching sulfonic acid groups