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:110-66-7
Name:n-pentyl mercaptan
Description:
Labels:Mercaptans
CAS:110-66-7
InChi Code:InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3

Properties

FP: Flash point [K]

ValueSource or prediction
291

experimental value

296

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

299

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
532

experimental value

514

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

523

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