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:1551-32-2
Name:2-ethyl-tetrahydrothiophene
Description:
Labels:Sulfides/thiophenes
CAS:1551-32-2
InChi Code:InChI=1S/C6H12S/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3

Properties

FP: Flash point [K]

ValueSource or prediction
312

experimental value

310

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

315

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
503

experimental value

506

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

511

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