Basic information
- CAS
83005-01-0- Standard SMILES
CCCCCCCCCCCCOC(=O)C(Cl)Cl- InChIKey
XOWWGPRKFWEEDR-UHFFFAOYSA-N- Molecular formula
- C14H26Cl2O2
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 296.1309855
Names & identifiers
- Preferred name
- Dodecyl dichloroacetate
- IUPAC
- dodecyl 2,2-dichloroacetate
- English name
- Dodecyl dichloroacetate
- Molecular formula
- C14H26Cl2O2
- Molecular weight
- 297.26
Names & synonyms
Dodecyl dichloroacetateDichloroacetic acid, dodecyl ester83005-01-0DTXSID80335069RefChem:339506DTXCID30286158XOWWGPRKFWEEDR-UHFFFAOYSA-NDodecyl dichloroacetate #Acetic acid, 2,2-dichloro-, dodecyl ester
Database identifiers
- CAS
83005-01-0- PubChem CID
- 522797
- DTXSID
DTXSID80335069
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 341.3 · 341.3±22.0 °C(Predicted)
- Density
- 1.038 · 1.038±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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