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:30453-31-7
Name:Ethyl propyl disulfide
Description:
Labels:Sulfides/thiophenes
CAS:30453-31-7
InChi Code:InChI=1S/C5H12S2/c1-3-5-7-6-4-2/h3-5H2,1-2H3

Properties

FP: Flash point [K]

ValueSource or prediction
324

experimental value

300

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

306

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
466

experimental value

488

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

491

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

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