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:6163-64-0
Name:Methyl t-butyl sulfide
Description:
Labels:Sulfides/thiophenes
CAS:6163-64-0
InChi Code:InChI=1S/C5H12S/c1-5(2,3)6-4/h1-4H3

Properties

FP: Flash point [K]

ValueSource or prediction
269

experimental value

270

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

271

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
527

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

526

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