Cas no 15586-11-5 (2-Octyl chloroformate)
2-Octyl chloroformate structure
Product Name:2-Octyl chloroformate
CAS No:15586-11-5
MF:C9H17ClO2
MW:192.683082342148
CID:50143
PubChem ID:12601447
Update Time:2025-04-18
2-Octyl chloroformate Chemical and Physical Properties
Names and Identifiers
-
- 2-Octyl chloroformate
- octan-2-yl carbonochloridate
- 2-chlorocarbonyloxy-octane
- 2-Octanol,chloroformate
- Carbonochloridic acid,1-methylheptyl ester
- carbonochloridic acid,octyl ester
- CHLOROFORMIC ACID N-OCTYL ESTER
- Formicacid, chloro-, 1-methylheptyl ester (6CI,7CI,8CI)
- 2-Octanol, chloroformate
- SCHEMBL5836312
- DTXSID80504016
- AKOS006313502
- Carbonochloridic acid, 1-methylheptyl ester
- 15586-11-5
-
- Inchi： 1S/C9H17ClO2/c1-3-4-5-6-7-8(2)12-9(10)11/h8H,3-7H2,1-2H3
- InChI Key： RDQJDTOPBOAIKG-UHFFFAOYSA-N
- SMILES： ClC(=O)OC(C)CCCCCC
Computed Properties
- Exact Mass: 192.09200
- Monoisotopic Mass: 192.0917075g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 126
- 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
- XLogP3: 4.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.003
- Boiling Point: 211 °C at 760 mmHg
- Flash Point: 211 °C at 760 mmHg
- PSA: 26.30000
- LogP: 3.72070
2-Octyl chloroformate Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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