Benzenepentanoic acid
Properties
- Molecular formula
- C11H14O2
- Molar mass
- 178.23 g/mol
- Exact mass
- 178.0994 Da
- Melting point
- 57.5 °C
- Boiling point
- 190 °C
- pKa
- 4.56
- logP
- 2.48Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 5
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation83.3% of notifiers
Aggregated from 6 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
2270-20-4SMILES
O=C(O)CCCCc1ccccc1InChIKey
BYHDDXPKOZIZRV-UHFFFAOYSA-NInChI
InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Valeric acid, 5-phenyl-
- Valeric acid, δ-phenyl-
- Phenylvaleric acid
- 5-Phenylvaleric acid
- Phenylpentanoic acid
- 5-Phenylpentanoic acid
- δ-Phenylvaleric acid
- NSC 65637
Work with Benzenepentanoic 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
9-Phenylnonanoic acid16269-06-096 % similar
8-Phenyloctanoic acid26547-51-396 % similar
7-Phenyl heptanoic acid40228-90-896 % similar
Benzenepentadecanoic acid40228-93-196 % similar
6-Phenylhexanoic acid5581-75-996 % similar
4-Phenylbutyric acid1821-12-188 % similar
Phenylpropanoic acid501-52-077 % similar
4-Fluorobenzenepentanoic acid24484-22-868 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.