Cas no 761-40-0 (4-hydroperoxy-n-heptane)
4-hydroperoxy-n-heptane structure
Product Name:4-hydroperoxy-n-heptane
4-hydroperoxy-n-heptane Chemical and Physical Properties
Names and Identifiers
-
- 4-hydroperoxy-n-heptane
- Heptan-4-yl hydroperoxide
- hydroperoxide, 1-propylbutyl
- 761-40-0
- SCHEMBL12309840
- DTXSID00226980
-
- Inchi: 1S/C7H16O2/c1-3-5-7(9-8)6-4-2/h7-8H,3-6H2,1-2H3
- InChI Key: MRKPKEMCNSQLLX-UHFFFAOYSA-N
- SMILES: O(C(CCC)CCC)O
Computed Properties
- Exact Mass: 132.11508
- Monoisotopic Mass: 132.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 5
- Complexity: 48.9
- 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: 2.2
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- Density: 0.891
- Boiling Point: 196.3°C at 760 mmHg
- Flash Point: 72.5°C
- Refractive Index: 1.422
- PSA: 29.46
4-hydroperoxy-n-heptane Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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