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:625-60-5
Name:Ethyl thiolacetate
Description:
Labels:Polyfunctional_C, H, O, S
CAS:625-60-5
InChi Code:InChI=1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3

Properties

FP: Flash point [K]

ValueSource or prediction
290

experimental value

339

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

338

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
556

experimental value

506

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

511

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

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