where ∆H In equation 13 we have assumed that the heat of adsorption is a constant with respect to temperature, which is a valid assumption for a small temperature difference with respect to the reference temperature, i.e. 25 °C. In the SI, we choose a subset of 50 structures, in which we made sure to have a variety of metals, linkers, and pore sizes. We use Clausius-Clapeyron to extrapolate to four different temperatures: 50, 75, 100, and 125°C. Then we use IAST to predict binary adsorption data of CO 2 and N 2 at those temperatures, for a wide range of CO 2 compositions (0.04%-95%). Finally, the predictions are compared to the binary data computed using the pure component isotherms generated by GCMC calculations at the respective temperatures. We were able to show that if we compute the reference CO 2 and N 2 isotherms at 25°C, we can obtain, for the majority of the predictions, binary CO 2 and N 2 data within an accuracy of 1% to 3%. The higher the temperature difference with respect to the reference temperature, i.e. 25 °C, the higher the errors, which corroborates the assumption that a constant heat of adsorption is only valid for small temperature differences. In the extreme case of 125°C, very few predictions were calculated with errors up to 25%. One way to overcome this issue is to use another reference isotherm at a relatively higher temperature, 75 °C for example, in order to minimize the temperature difference when extrapolating at high temperatures.