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:111-47-7
Name:di-n-propyl sulfide
Description:
Labels:Sulfides/thiophenes
CAS:111-47-7
InChi Code:InChI=1S/C6H14S/c1-3-5-7-6-4-2/h3-6H2,1-2H3

Properties

FP: Flash point [K]

ValueSource or prediction
301

experimental value

298

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

307

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
497

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

514

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

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