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:55735-23-4
Name:3-ethyl-2,5-dimethylthiophene
Description:
Labels:Sulfides/thiophenes
CAS:55735-23-4
InChi Code:InChI=1S/C8H12S/c1-4-8-5-6(2)9-7(8)3/h5H,4H2,1-3H3

Properties

FP: Flash point [K]

ValueSource or prediction
330

experimental value

335

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

335

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
549

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

540

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

Links to External Resources