Boiling Point Predictor

The boiling point predictor can be used for predicting the boiling point and melting point of a given compound (in Celsius). This predictor utilizes a regression-based, gradient boosting model that takes in a SMILES string and outputs the predicted boiling point of the compound.

NOTE: This does not provide the experimentally determined boiling point of a compound, but is rather an approximation computed given similar compounds. This predictor has an error value of about 40 degrees celsius. This calculator can be used when the boiling point of the compound is unknown. For experimentally determined boiling points check https://www.aatbio.com/data-sets/boiling-point-bp-and-melting-point-mp-reference-table

Enter SMILES

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References

This online resource may be cited as follows

MLA	"Quest Predict™ Boiling Point Predictor." AAT Bioquest, Inc., 25 Sep. 2025, https://www.aatbio.com/tools/predictive-modeling/boiling-point-predictor.
APA	AAT Bioquest, Inc. (2025, September 25). Quest Predict™ Boiling Point Predictor. AAT Bioquest. https://www.aatbio.com/tools/predictive-modeling/boiling-point-predictor.
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Boiling Point Predictor
Predicts physical boiling point of compound using a SMILES
Melting Point Predictor
Predicts physical melting point of compound using a SMILES

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