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:2150-02-9
Name:2,2'-Dimercaptodiethyl ether
Description:Name changed. Original (Dimercaptoethyl ether)
Labels:Polyfunctional_C, H, O, S
CAS:2150-02-9
InChi Code:InChI=1S/C4H10OS2/c6-3-1-5-2-4-7/h6-7H,1-4H2

Properties

FP: Flash point [K]

ValueSource or prediction
371

experimental value

369

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

374

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
496

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

514

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

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