Cas no 140420-94-6 (Octanoic acid, 2,2-difluoro-, 1-methylethyl ester)
140420-94-6 structure
Product Name:Octanoic acid, 2,2-difluoro-, 1-methylethyl ester
CAS No:140420-94-6
MF:C11H20F2O2
MW:222.272110939026
CID:1292309
Update Time:2024-08-04
Octanoic acid, 2,2-difluoro-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
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- Octanoic acid, 2,2-difluoro-, 1-methylethyl ester
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- Inchi： 1S/C11H20F2O2/c1-4-5-6-7-8-11(12,13)10(14)15-9(2)3/h9H,4-8H2,1-3H3
- InChI Key： ATVXRCGEBNAXOA-UHFFFAOYSA-N
- SMILES： C(OC(C)C)(=O)C(F)(F)CCCCCC
Computed Properties
- Exact Mass: 222.1432
Experimental Properties
- Density: 0.988±0.06 g/cm3(Predicted)
- Boiling Point: 230.2±25.0 °C(Predicted)
- PSA: 26.3
Octanoic acid, 2,2-difluoro-, 1-methylethyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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