Cas no 156952-79-3 (Eicosanoic acid,9-octadecen-1-yl ester)
156952-79-3 structure
Product Name:Eicosanoic acid,9-octadecen-1-yl ester
Eicosanoic acid,9-octadecen-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- Eicosanoic acid,9-octadecen-1-yl ester
- octadec-9-enyl icosanoate
- 156952-79-3
- DTXSID10275863
- Eicosanoic acid 9-octadecen-1-yl ester
-
- Inchi： 1S/C38H74O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20H,3-17,19,21-37H2,1-2H3
- InChI Key： HWRYIWKGLJIMLG-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCCCCCCCCCCCC)=O)CCCCCCCCC=CCCCCCCCC
Computed Properties
- Exact Mass: 562.56922
- Monoisotopic Mass: 562.56888160g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 40
- Rotatable Bond Count: 35
- Complexity: 498
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 17.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.862±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 617.5±34.0 oC (760 Torr),
- Flash Point: 45.4±24.0 oC,
- Solubility: Insuluble (1.4E-8 g/L) (25 oC),
- PSA: 26.3
Eicosanoic acid,9-octadecen-1-yl ester Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
156952-79-3 (Eicosanoic acid,9-octadecen-1-yl ester) Related Products
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