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:598-03-8
Name:di-n-propyl sulfone
Description:
Labels:Polyfunctional_C, H, O, S
CAS:598-03-8
InChi Code:InChI=1S/C6H14O2S/c1-3-5-9(7,8)6-4-2/h3-6H2,1-2H3

Properties

FP: Flash point [K]

ValueSource or prediction
400

experimental value

398

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

387

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
406

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

450

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