Basic information
- CAS
1120-10-1- Standard SMILES
O=C(O)CCCCCCCCCl- InChIKey
DFJLDESPZKERQH-UHFFFAOYSA-N- Molecular formula
- C9H17ClO2
- Average molar mass
- 192.68 g/mol
- Monoisotopic mass
- 192.0917075
Names & identifiers
- Preferred name
- Nonanoic acid, 9-chloro-
- IUPAC
- 9-chlorononanoic acid
- English name
- 9-Chlorononanoic acid
- Molecular formula
- C9H17ClO2
- Molecular weight
- 192.68
Names & synonyms
9-Chlorononanoic acidChloropelargonic acidChlorperalgonicNONANOIC ACID, 9-CHLORO-BRN 1759809DTXSID201498044-02-00-01025 (Beilstein Handbook Reference)RefChem:166463DTXCID8072295DFJLDESPZKERQH-UHFFFAOYSA-N1120-10-1SCHEMBL4528779
Show more names
AKOS024456135
Database identifiers
- CAS
1120-10-1- PubChem CID
- 14255
- DTXSID
DTXSID20149804- Nikkaji
- J34.589J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 115
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 29 · 29-30 °C
- Boiling point
- 276.21 °C · 276.21°C (rough estimate)
- Density
- 1.0711 · 1.0711 (rough estimate)
- refractive index
- 1.431 · 1.4310 (estimate)
- pka
- 4.78 · 4.78±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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