Normal boiling point
Definition
Normal boiling point is the temperature where a pure substance is transformed from liquid to gas under 1 bar.
Estimation Method
- 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.
- Joback: Group Contribution Method (Estimation of pure-component properties from group-contributions, Chem.Eng.Commun., 1987. 57. 233)
- Gani: Group Contribution Method (New Group Contribution Method for Estimating Properties of Pure Compounds, AIChE J., 1994. 5. 1697)Supplementary Explanation on Accuracy
Comment Meaning of Comment ≤ 1% 0 ≤ abs%error ≤ 1 ≤ 3% 1 < abs%error ≤ 3 ≤ 5% 3 < abs%error ≤ 5 ≤ 10% 5 < abs%error ≤ 10 ≤ 20% 10 < abs%error ≤ 20 ≤ 50% 20 < abs%error ≤ 50 > 50% abs%error > 50 Exp. Data Unavailable Experimental Data are Unavailable Where absolute % error means the absolute value of {(experimental value)-(calculated value)}/(experimental value).