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: | 107-03-9 | |
|---|---|---|
| Name: | n-propyl mercaptan | |
| Description: | ||
| Labels: | Mercaptans | |
| CAS: | 107-03-9 | |
| InChi Code: | InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3 |
Properties
FP: Flash point [K]
| Value | Source or prediction |
|---|---|
| 253 |
experimental value |
| 266 |
Eq6: PSO-MLR model for flash point (Training set) |
| 259 |
Tab5: FFNN model for flash point (Training set) |
AIT: Auto-Ignition Temperature [K]
| Value | Source or prediction |
|---|---|
| 560 |
experimental value |
| 547 |
Eq7: PSO-MLR model for auto-ignition temperature (Validation set) |
| 536 |
Tab6: FFNN model for auto-ignition temperature (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5026750 | US EPA CompTox Dashboard |