Bagheri, M.; Borhani, T. N. G.; Zahedi, G. Estimation of flash point and autoignition temperature of organic sulfur chemicals. Energy Convers. Manage. 2012, 58, 185–196.
Compound
| ID: | 107-96-0 | |
|---|---|---|
| Name: | 3-mercaptopropionic acid | |
| Description: | ||
| Labels: | Polyfunctional_C, H, O, S | |
| CAS: | 107-96-0 | |
| InChi Code: | InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5) |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 366 |
experimental value |
| 401 |
Eq6: PSO-MLR model for flash point (Training set) |
| 375 |
Tab5: FFNN model for flash point (Training set) |
AIT: Auto-Ignition Temperature [K]
| Value | Source or prediction |
|---|---|
| 550 |
Eq7: PSO-MLR model for auto-ignition temperature (Prediction set) |
| 525 |
Tab6: FFNN model for auto-ignition temperature (Prediction set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8026775 | US EPA CompTox Dashboard |