Standard state enthalpy of formation at 298.15K and 1bar
Standard state enthalpy of formation (at 298.15K and 1bar) is the calorie that is either absorbed or released when making 1 mole of compound from single element substances of each element consisting the molecule at the standard temperature and pressure (298.15K and 1bar).
- MolInstincts: The Property value is estimated by the combination of fundamental thermodynamic theories, modern modeling approaches, QSPR (quantitative structure-property relationships) methods, and ANN (Artificial Neural Network) with over fitting prevention algorithm, utilizing the quantum chemical calculations results and molecular descriptors. The estimated value is finally determined after manual inspection.
Supplementary Explanation on Comment
Comment Meaning of Comment ≤ 1 kcal/mol 0 kcal/mol ≤ abs error ≤ 1 kcal/mol ≤ 3 kcal/mol 1 kcal/mol < abs error ≤ 3 kcal/mol ≤ 5 kcal/mol 3 kcal/mol < abs error ≤ 5 kcal/mol ≤ 7 kcal/mol 5 kcal/mol < abs error ≤ 7 kcal/mol > 7 kcal/mol abs error > 7 kcal/mol Exp. Data Unavailable Experimental Data are Unavailable
Where absolute error means the absolute value of (experimental value)-(calculated value).