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:25360-10-5
Name:Tert-nonyl mercaptan
Description:
Labels:Mercaptans
CAS:25360-10-5
InChi Code:InChI=1S/C9H20S/c1-4-5-6-7-8-9(2,3)10/h10H,4-8H2,1-3H3

Properties

FP: Flash point [K]

ValueSource or prediction
340

experimental value

350

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

347

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
509

experimental value

532

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

527

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