Input Criteria
Use the fields below to describe your desired solvent profile. Results appear above this form after submission.
Example Data Table
| Solvent | Polarity | Boiling Point (°C) | Toxicity | Viscosity (cP) | Dielectric | H-Bond | Water Miscible | Green Score | Flash Point (°C) |
|---|---|---|---|---|---|---|---|---|---|
| Water | 9 | 100 | 1 | 1 | 80.1 | 10 | Yes | 10 | 999 |
| Ethanol | 5.2 | 78.4 | 2 | 1.2 | 24.3 | 8 | Yes | 8.5 | 13 |
| Isopropanol | 3.9 | 82.6 | 2.5 | 2.04 | 18.3 | 7 | Yes | 7.5 | 12 |
| Acetone | 5.1 | 56 | 3 | 0.32 | 20.7 | 4 | Yes | 6.5 | -20 |
| Ethyl Acetate | 4.4 | 77.1 | 3 | 0.45 | 6 | 4 | No | 7 | -4 |
| Acetonitrile | 6.2 | 81.6 | 5 | 0.37 | 37.5 | 3 | Yes | 4.5 | 2 |
| Toluene | 2.4 | 110.6 | 6 | 0.59 | 2.4 | 1 | No | 3.5 | 4 |
| Hexane | 0.1 | 68.7 | 7.5 | 0.3 | 1.9 | 0 | No | 2 | -22 |
| DMSO | 7.2 | 189 | 2 | 1.99 | 46.7 | 5 | Yes | 6 | 89 |
| DMF | 6.4 | 153 | 8 | 0.92 | 36.7 | 4 | Yes | 2.5 | 58 |
| THF | 4 | 66 | 4.5 | 0.46 | 7.6 | 2 | Yes | 4.5 | -14 |
| Methanol | 6.6 | 64.7 | 8.5 | 0.59 | 32.7 | 9 | Yes | 3.5 | 11 |
Formula Used
This tool uses a weighted suitability model. Each solvent property is converted into a normalized score between 0 and 1, then multiplied by its user-defined importance.
Score = 100 × [ (wp×Sp) + (wbp×Sbp) + (wtox×Stox) + (wvis×Svis) + (wd×Sd) + (whb×Shb) + (ww×Sw) + (wg×Sg) + (wf×Sf) ] / Σw
Where:
- Sp: closeness of solvent polarity to target polarity.
- Sbp: closeness of boiling point to desired boiling point.
- Stox: desirability of lower toxicity relative to your maximum tolerance.
- Svis, Sd, Shb: closeness scores for viscosity, dielectric constant, and hydrogen bonding.
- Sw: water miscibility match score.
- Sg: green score desirability.
- Sf: flash point desirability, where higher is safer.
The top-ranked solvent is the one with the highest weighted score for your chosen process goals.
How to Use This Calculator
- Enter your desired solvent profile, including polarity, boiling point, safety, and handling preferences.
- Adjust the property weights to reflect what matters most for your experiment or process.
- Choose whether you prefer water-miscible or immiscible solvents.
- Click Evaluate Solvents to rank the solvent list.
- Review the recommended solvent shown above the form.
- Use the table and Plotly graph to compare tradeoffs across top candidates.
- Download results or example data as CSV or PDF for reporting.
FAQs
1) What does this solvent selection tool do?
It compares common solvents against your target profile. The tool scores each candidate using weighted chemistry and safety criteria, then ranks them from best to worst fit.
2) Is this a replacement for lab validation?
No. It is a screening aid for faster decision-making. Final solvent choice still needs solubility testing, compatibility checks, regulatory review, and process validation.
3) Why are weights important?
Weights let you prioritize what matters most. For example, you can make safety dominate the ranking, or emphasize evaporation behavior, polarity matching, or greener selection goals.
4) How is toxicity handled?
Toxicity is treated as a lower-is-better criterion. Solvents at or below your maximum acceptable toxicity receive better scores than candidates exceeding that threshold.
5) What is the green score?
The green score is a simplified sustainability indicator. It helps reward solvents generally viewed as safer or more environmentally acceptable for routine chemistry work.
6) Can I add more solvents later?
Yes. Add more rows to the solvent dataset array near the top of the file. Keep the same property fields so scoring remains consistent.
7) Why might water rank highly?
Water often scores well for safety and sustainability. However, it only remains a good choice when your polarity, miscibility, and process needs align with it.
8) Can this help with scale-up decisions?
Yes, as an early ranking tool. It highlights candidates that balance performance and safety, but scale-up also needs recovery cost, materials compatibility, and hazard analysis.