Cas no 116530-76-8 (Hexane,3-chloro-3-ethyl-)
Hexane,3-chloro-3-ethyl- structure
Product Name:Hexane,3-chloro-3-ethyl-
CAS No:116530-76-8
MF:C8H17Cl
MW:148.673581838608
CID:131262
PubChem ID:544026
Update Time:2025-04-19
Hexane,3-chloro-3-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- Hexane,3-chloro-3-ethyl-
- 3-CHLORO-3-ETHYLHEXANE
- 3-Aethyl-3-chlor-hexan
- 3-ethyl-3-chloro-hexane
- Hexane,3-chloro-3-ethyl
- DTXSID20337683
- GOMWAYCVQYANPT-UHFFFAOYSA-N
- AKOS006275091
- FT-0692107
- 116530-76-8
- SCHEMBL11284644
- 3-chloro-3-ethyl-hexane
-
- Inchi： 1S/C8H17Cl/c1-4-7-8(9,5-2)6-3/h4-7H2,1-3H3
- InChI Key： GOMWAYCVQYANPT-UHFFFAOYSA-N
- SMILES： ClC(CC)(CC)CCC
Computed Properties
- Exact Mass: 148.10200
- Monoisotopic Mass: 148.1018782g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 65
- 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: 3.7
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 0.864
- Boiling Point: 163.9°C at 760 mmHg
- Flash Point: 47.1°C
- Refractive Index: 1.424
- PSA: 0.00000
- LogP: 3.58410
Hexane,3-chloro-3-ethyl- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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