ACD/Boiling Point

Key Capabilities

ACD/Boiling Point is a program used to calculate the boiling point temperature for a compound, from 0.001 torr to 10 atm. Our boiling point predictions are normally accurate to within ±5°C for structures with fewer than two polar groups, and to within ±10° for structures with more polar groups. The same powerful algorithm is applied to derive the vapor pressure as a function of temperature so that you can determine volatilization characteristics of your compound over a broad range of ambient temperatures. ACD/Boiling Point capabilities do not stop there; the software also calculates the enthalpy of vaporization at the boiling point and predicts the flash point. The reliability of the last estimate can be confirmed through accessing the calculation protocol.

Draw almost any structure containing H, B, C, N, O, F, Cl, Br, I, Si, P, S, Ge, As, Se, Sn, or Pb and instantly obtain a reliable estimate of the boiling point under a wide range of pressures!

Input of molecular structures is easy, through our popular ChemSketch window interface.

Draw your structure (or look it up in ACD/Dictionary) and then click Boiling Point . Select the graph and table output you desire: boiling point vs. pressure or vapor pressure vs. temperature. Select the units for these, and also for the enthalpy of vaporization. The display is instantly updated. You can choose to print out any or all of this information.

To determine constants and relationships, our algorithm uses an internal database that contains boiling points for 10,000 compounds - 6,000 of which have boiling point values at 760 mmHg. The database values were also used to evaluate and fine-tune the specialized algorithms for ACD/Boiling Point. Your compound does not have to be in the database in order to have its boiling point calculated.