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:143-10-2
Name:n-decyl mercaptan
Description:
Labels:Mercaptans
CAS:143-10-2
InChi Code:InChI=1S/C10H22S/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3

Properties

FP: Flash point [K]

ValueSource or prediction
370

experimental value

367

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

366

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
483

experimental value

478

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

483

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