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:75-15-0
Name:Carbon disulfide
Description:
Labels:Sulfides/thiophenes
CAS:75-15-0
InChi Code:InChI=1S/CS2/c2-1-3

Properties

FP: Flash point [K]

ValueSource or prediction
243

experimental value

245

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

236

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
371

experimental value

381

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

371

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

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