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:132-65-0
Name:Dibenzothiophene
Description:
Labels:Sulfides/thiophenes
CAS:132-65-0
InChi Code:InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H

Properties

FP: Flash point [K]

ValueSource or prediction
431

experimental value

421

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

439

Tab5: FFNN model for flash point (Validation set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
808

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

642

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

Links to External Resources