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Is there any way to calculate the surface area of compounds such as 2,5-dimethylhexane or 3-methylpentane? If not, is there a database that has information on surface area of these compounds (not polar surface area). I'm doing an in-depth research between the correlation of surface area and boiling and melting point in branched chain isomers and really need to calculate the surface area of these branched chain isomers.

  • if it's through a program, please specify if the program is free to use
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    $\begingroup$ This article looks promising. I will try to give an explanation once I have access to it. $\endgroup$ – Tyberius Mar 19 '17 at 15:29
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    $\begingroup$ I found the data at [google.com/… $\endgroup$ – idk wat else Mar 19 '17 at 22:42
  • $\begingroup$ Cool, so it looks as though 3-methylpentane is included in the data set. You could presumably find the value for 2,5-dimethylhexane using the formula in their paper in reverse by experimentally measuring solubility. If this doesn't work this book has more info on MSDOT. $\endgroup$ – Tyberius Mar 19 '17 at 23:08

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