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:68-11-1
Name:Thioglycolic acid
Description:
Labels:Polyfunctional_C, H, O, S
CAS:68-11-1
InChi Code:InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)

Properties

FP: Flash point [K]

ValueSource or prediction
398

experimental value

392

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

380

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
577

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

566

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

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