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:111-48-8
Name:Thiodiglycol
Description:
Labels:Polyfunctional_C, H, O, S
CAS:111-48-8
InChi Code:InChI=1S/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H2

Properties

FP: Flash point [K]

ValueSource or prediction
421

experimental value

392

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

414

Tab5: FFNN model for flash point (Validation set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
522

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

524

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

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