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:1551-21-9
Name:Methyl isopropyl sulfide
Description:
Labels:Sulfides/thiophenes
CAS:1551-21-9
InChi Code:InChI=1S/C4H10S/c1-4(2)5-3/h4H,1-3H3

Properties

FP: Flash point [K]

ValueSource or prediction
262

experimental value

263

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

257

Tab5: FFNN model for flash point (Validation set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
533

experimental value

524

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

525

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

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