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:14290-92-7
Name:ethyl t-butyl sulfide
Description:
Labels:Sulfides/thiophenes
CAS:14290-92-7
InChi Code:InChI=1S/C6H14S/c1-5-7-6(2,3)4/h5H2,1-4H3

Properties

FP: Flash point [K]

ValueSource or prediction
238

experimental value

287

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

292

Tab5: FFNN model for flash point (Validation set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
519

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

523

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