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:95-15-8
Name:Benzothiophene
Description:
Labels:Sulfides/thiophenes
CAS:95-15-8
InChi Code:InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H

Properties

FP: Flash point [K]

ValueSource or prediction
371

experimental value

350

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

364

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
630

experimental value

600

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

630

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

Links to External Resources