10967/130 - QDB Compounds

QsarDB Repository

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:287-27-4
Name:Trimethylene sulfide
Description:
Labels:Sulfides/thiophenes
CAS:287-27-4
InChi Code:InChI=1S/C3H6S/c1-2-4-3-1/h1-3H2

Properties

FP: Flash point [K]

ValueSource or prediction
271

experimental value

260

Eq6: PSO-MLR model for flash point (Training set)

269

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
522

Eq7: PSO-MLR model for auto-ignition temperature (Prediction set)

520

Tab6: FFNN model for auto-ignition temperature (Prediction set)