Cas no 36049-78-2 (octane, 2-iodo-, (±)-)
octane, 2-iodo-, (±)- structure
Product Name:octane, 2-iodo-, (±)-
CAS No:36049-78-2
MF:C8H17I
MW:240.125055074692
CID:920958
Update Time:2024-06-14
octane, 2-iodo-, (±)- Chemical and Physical Properties
Names and Identifiers
-
- octane, 2-iodo-, (±)-
- 2-iodo octane
- (+/-)-2-iodo-octane
- (+/-)-2-Jod-octan
- 2-iodo-octane
- 2-Jodoctan
- 2-Jod-octan
- rac-(2R*)-2-Iodooctane
-
- Inchi： 1S/C8H17I/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3
- InChI Key： XFLOGTUFKZCFTK-UHFFFAOYSA-N
- SMILES： CC(I)CCCCCC
Computed Properties
- Exact Mass: 240.03700
- Monoisotopic Mass: 240.037494
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 9
- Rotatable Bond Count: 5
- Complexity: 52.5
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0
Experimental Properties
- Density: 1.3251
- Melting Point: -45.7°C (estimate)
- Boiling Point: 212.38°C (estimate)
- Refractive Index: 1.4896
- PSA: 0.00000
- LogP: 3.78030
octane, 2-iodo-, (±)- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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