Cas no 7667-78-9 (ALKANE C58)
ALKANE C58 structure
Product Name:ALKANE C58
ALKANE C58 Chemical and Physical Properties
Names and Identifiers
-
- ALKANE C58
- Octapentacontane
- DTXSID50335016
- 7667-78-9
- Octapentacontane, analytical standard
- Q17239502
-
- Inchi： 1S/C58H118/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-58H2,1-2H3
- InChI Key： HDKSWQPFGWHOIA-UHFFFAOYSA-N
- SMILES： C(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 814.92394
- Monoisotopic Mass: 814.92335376g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 58
- Rotatable Bond Count: 55
- Complexity: 594
- 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: 31
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 0.9284 (estimate)
- Melting Point: 95-98?°C
- Boiling Point: 607.84°C (estimate)
- Flash Point: 584.8°C
- Refractive Index: 1.4899 (estimate)
- PSA: 0
ALKANE C58 Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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