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:1551-27-5
Name:2-n-propylthiophene
Description:
Labels:Sulfides/thiophenes
CAS:1551-27-5
InChi Code:InChI=1S/C7H10S/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3

Properties

FP: Flash point [K]

ValueSource or prediction
318

experimental value

337

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

319

Tab5: FFNN model for flash point (Training set)

AIT: Auto-Ignition Temperature [K]

ValueSource or prediction
549

experimental value

545

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

553

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