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:592-88-1
Name:Diallyl sulfide
Description:
Labels:Sulfides/thiophenes
CAS:592-88-1
InChi Code:InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2

Properties

FP: Flash point [K]

ValueSource or prediction
313

experimental value

325

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

330

Tab5: FFNN model for flash point (Validation set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
487

experimental value

482

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

487

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

Links to External Resources