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:110-06-5
Name:di-tert-butyl disulfide
Description:
Labels:Sulfides/thiophenes
CAS:110-06-5
InChi Code:InChI=1S/C8H18S2/c1-7(2,3)9-10-8(4,5)6/h1-6H3

Properties

FP: Flash point [K]

ValueSource or prediction
342

experimental value

331

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

332

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
471

experimental value

502

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

484

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