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:60-24-2
Name:2-mercaptoethanol
Description:
Labels:Polyfunctional_C, H, O, S
CAS:60-24-2
InChi Code:InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2

Properties

FP: Flash point [K]

ValueSource or prediction
344

experimental value

330

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

343

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
568

experimental value

558

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

548

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

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