10967/130 - QDB Compounds

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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:100-68-5
Name:Methyl phenyl sulfide
Description:
Labels:Sulfides/thiophenes
CAS:100-68-5
InChi Code:InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3

Properties

FP: Flash point [K]

ValueSource or prediction
333

experimental value

332

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

333

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
534

experimental value

561

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

505

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

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