Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 2005 | |
|---|---|---|
| Name: | 2-(N-ethyl1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctanesulfonamido)ethyl prop-2-enoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-{ethyl[(heptadecafluorooctyl)sulfonyl]amino}ethyl acrylate | |
| Labels: | ||
| CAS: | 423-82-5 | |
| InChi Code: | InChI=1S/C15H12F17NO4S/c1-3-7(34)37-6-5-33(4-2)38(35,36)15(31,32)13(26,27)11(22,23)9(18,19)8(16,17)10(20,21)12(24,25)14(28,29)30/h3H,1,4-6H2,2H3 |
Properties
M16.logVP: Vapor pressure as log(VP) [log(mm Hg)]
| Value | Source or prediction |
|---|---|
| -4.824 |
experimental value |
| -4.4689 |
Tab2.Model_16: PFC vapor pressure (Training set) |