5-Chloropentanoic acid
Properties
- Molecular formula
- C5H9ClO2
- Molar mass
- 136.58 g/mol
- Exact mass
- 136.0291 Da
- Density
- 1.1832 g/mL (at 20 °C)
- Melting point
- 18 °C
- Boiling point
- 230 °C
- logP
- 1.48Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation91.1% of notifiers
- H319 Causes serious eye irritation91.1% of notifiers
- H335 May cause respiratory irritation91.1% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1119-46-6SMILES
O=C(O)CCCCClInChIKey
YSXDKDWNIPOSMF-UHFFFAOYSA-NInChI
InChI=1S/C5H9ClO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Pentanoic acid, 5-chloro-
- Valeric acid, 5-chloro-
- 5-Chlorovaleric acid
- δ-Chlorovaleric acid
- ω-Chloropentanoic acid
- ω-Monochlorovaleric acid
- δ-Chloropentanoic acid
Work with 5-Chloropentanoic acid
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
6-Chlorohexanoic acid4224-62-895 % similar
4-Chlorobutanoic acid627-00-986 % similar
Adipic acid124-04-970 % similar
3-Chloropropionic acid107-94-868 % similar
Pimelic acid111-16-067 % similar
Sebacic acid111-20-667 % similar
Azelaic acid123-99-967 % similar
Pentadecanedioic acid1460-18-067 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.