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:4565-32-6
Name:Thiaindan
Description:
Labels:Sulfides/thiophenes
CAS:4565-32-6
InChi Code:InChI=1S/C8H8S/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2

Properties

FP: Flash point [K]

ValueSource or prediction
365

experimental value

349

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

354

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
533

experimental value

556

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

533

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