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:3877-15-4
Name:Methyl n-propyl sulfide
Description:
Labels:Sulfides/thiophenes
CAS:3877-15-4
InChi Code:InChI=1S/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3

Properties

FP: Flash point [K]

ValueSource or prediction
270

experimental value

268

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

263

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
518

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

524

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