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:7372-88-5
Name:4-methyl dibenzothiophene
Description:
Labels:Sulfides/thiophenes
CAS:7372-88-5
InChi Code:InChI=1S/C13H10S/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h2-8H,1H3

Properties

FP: Flash point [K]

ValueSource or prediction
447

experimental value

433

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

451

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
728

experimental value

726

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

728

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