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:7133-46-2
Name:Dicyclohexyl sulfide
Description:
Labels:Sulfides/thiophenes
CAS:7133-46-2
InChi Code:InChI=1S/C12H22S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-12H,1-10H2

Properties

FP: Flash point [K]

ValueSource or prediction
393

experimental value

401

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

405

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
497

experimental value

523

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

496

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