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:3698-94-0
Name:Ethyl n-octyl sulfide
Description:
Labels:Sulfides/thiophenes
CAS:3698-94-0
InChi Code:InChI=1S/C10H22S/c1-3-5-6-7-8-9-10-11-4-2/h3-10H2,1-2H3

Properties

FP: Flash point [K]

ValueSource or prediction
360

experimental value

357

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

355

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
476

experimental value

476

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

479

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