Cas no 51568-22-0 (Hexadecanoic acid,13,15-dioxo-)
51568-22-0 structure
Product Name:Hexadecanoic acid,13,15-dioxo-
CAS No:51568-22-0
MF:C16H28O4
MW:284.391125679016
CID:383892
PubChem ID:318734
Update Time:2025-04-19
Hexadecanoic acid,13,15-dioxo- Chemical and Physical Properties
Names and Identifiers
-
- Hexadecanoic acid,13,15-dioxo-
- 13,15-dioxohexadecanoic acid
- 51568-22-0
- NSC257825
- NSC-257825
- DTXSID00312554
-
- Inchi： 1S/C16H28O4/c1-14(17)13-15(18)11-9-7-5-3-2-4-6-8-10-12-16(19)20/h2-13H2,1H3,(H,19,20)
- InChI Key： JTUHPKQVDKLPGI-UHFFFAOYSA-N
- SMILES： O=C(CC(C)=O)CCCCCCCCCCCC(=O)O
Computed Properties
- Exact Mass: 284.19884
- Monoisotopic Mass: 284.199
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 14
- Complexity: 297
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 71.4?2
Experimental Properties
- Density: 1.01
- Boiling Point: 433.5°Cat760mmHg
- Flash Point: 230.1°C
- Refractive Index: 1.464
- PSA: 71.44
- LogP: 3.91030
Hexadecanoic acid,13,15-dioxo- Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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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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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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