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:638-02-8
Name:2,5-dimethylthiophene
Description:
Labels:Sulfides/thiophenes
CAS:638-02-8
InChi Code:InChI=1S/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3

Properties

FP: Flash point [K]

ValueSource or prediction
298

experimental value

298

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

308

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
554

experimental value

552

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

555

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

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