Cas no 2492-36-6 (Butyl (7CI,8CI,9CI))
Butyl (7CI,8CI,9CI) structure
Product Name:Butyl (7CI,8CI,9CI)
Butyl (7CI,8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Butyl (7CI,8CI,9CI)
- n-butyl (radical)
- 1-Butyl radical
- butan-1-yl
- butyl radical
- nButylradikal
- n-C4H9
- DTXSID00179629
- 2492-36-6
-
- Inchi： 1S/C4H9/c1-3-4-2/h1,3-4H2,2H3
- InChI Key： WPWHSFAFEBZWBB-UHFFFAOYSA-N
- SMILES： C(C)C[CH2] |^1:3|
Computed Properties
- Exact Mass: 57.07040
- Monoisotopic Mass: 57.07
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 4
- Rotatable Bond Count: 1
- Complexity: 4
- 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: 2.9
- Topological Polar Surface Area: 0?2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 0.00000
- LogP: 1.62060
Butyl (7CI,8CI,9CI) Related Literature
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1. Hydrogenation of olefins. Part 6.—Reaction of n-butenes with hydrogen and with deuterium over alumina- supported palladiumG. C. Bond,J. M. Winterbottom Trans. Faraday Soc. 1969 65 2779
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Jingjing Zheng,Prasenjit Seal,Donald G. Truhlar Chem. Sci. 2013 4 200
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Ruchira Silva,Wilson K. Gichuhi,Michael B. Doyle,Alexander H. Winney,Arthur G. Suits Phys. Chem. Chem. Phys. 2009 11 4777
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Xuefei Xu,Ewa Papajak,Jingjing Zheng,Donald G. Truhlar Phys. Chem. Chem. Phys. 2012 14 4204
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Xuefei Xu,Ewa Papajak,Jingjing Zheng,Donald G. Truhlar Phys. Chem. Chem. Phys. 2012 14 4204
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