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:554-14-3
Name:2-methylthiophene
Description:
Labels:Sulfides/thiophenes
CAS:554-14-3
InChi Code:InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3

Properties

FP: Flash point [K]

ValueSource or prediction
281

experimental value

286

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

286

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
572

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

614

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

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