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:110-02-1
Name:Thiophene
Description:
Labels:Sulfides/thiophenes
CAS:110-02-1
InChi Code:InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H

Properties

FP: Flash point [K]

ValueSource or prediction
270

experimental value

277

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

269

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
554

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

561

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

Links to External Resources