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:598-04-9
Name:di-n-butyl sulfone
Description:
Labels:Polyfunctional_C, H, O, S
CAS:598-04-9
InChi Code:InChI=1S/C8H18O2S/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3

Properties

FP: Flash point [K]

ValueSource or prediction
416

experimental value

422

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

407

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
391

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

451

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