Cas no 63400-12-4 (Pentadecanoic acid,zinc salt (2:1))
63400-12-4 structure
Product Name:Pentadecanoic acid,zinc salt (2:1)
CAS No:63400-12-4
MF:C15H30O2Zn
MW:307.806501865387
CID:525008
PubChem ID:87169563
Update Time:2025-04-19
Pentadecanoic acid,zinc salt (2:1) Chemical and Physical Properties
Names and Identifiers
-
- Pentadecanoic acid,zinc salt (2:1)
- zinc pentadecanoate
- 264-127-5
- Zinc dipentadecanoate
-
- Inchi: 1S/C15H30O2.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h2-14H2,1H3,(H,16,17);
- InChI Key: MEFIJKOKCGRWSK-UHFFFAOYSA-N
- SMILES: [Zn].OC(CCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 546.36284
- Monoisotopic Mass: 546.362657
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 35
- Rotatable Bond Count: 24
- Complexity: 161
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 80.3
Experimental Properties
- Boiling Point: 330.4°Cat760mmHg
- Flash Point: 149.6°C
- PSA: 80.26
Pentadecanoic acid,zinc salt (2:1) Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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