Cas no 1020-87-7 (Benzene,1,4-bis(2,2-dimethylpropyl)-)
1020-87-7 structure
Product Name:Benzene,1,4-bis(2,2-dimethylpropyl)-
Benzene,1,4-bis(2,2-dimethylpropyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzene,1,4-bis(2,2-dimethylpropyl)-
- Benzene, 1,4-bis(2,2-dimethylpropyl)
- 1,4-bis(2,2-dimethylpropyl)benzene
- 1,4-dineopentylbenzene
- DTXSID90144523
- Benzene, 1,4-bis(2,2-dimethylpropyl)-
- 1020-87-7
- Benzene,1,4-bis(2,2-dimethylpropyl)
- AE-562/12222045
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- Inchi： 1S/C16H26/c1-15(2,3)11-13-7-9-14(10-8-13)12-16(4,5)6/h7-10H,11-12H2,1-6H3
- InChI Key： HGOYQFVDLBZLGZ-UHFFFAOYSA-N
- SMILES： C(C)(C)(C)CC1C=CC(=CC=1)CC(C)(C)C
Computed Properties
- Exact Mass: 218.20358
- Monoisotopic Mass: 218.203
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 169
- 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: 5.9
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 0.859
- Boiling Point: 280.6°C at 760 mmHg
- Flash Point: 122.2°C
- Refractive Index: 1.486
- PSA: 0
- LogP: 4.86380
Benzene,1,4-bis(2,2-dimethylpropyl)- Related Literature
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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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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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