Cyclooctane
Properties
- Molecular formula
- C8H16
- Molar mass
- 112.22 g/mol
- Exact mass
- 112.1252 Da
- Density
- 0.891 g/mL (at 20 °C)
- Melting point
- 14.8 °C
- Boiling point
- 149 °C
- logP
- 3.12Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H304 May be fatal if swallowed and enters airways48% of notifiers
- H315 Causes skin irritation12% of notifiers
- H317 May cause an allergic skin reaction12% of notifiers
- H400 Very toxic to aquatic life12% of notifiers
- H410 Very toxic to aquatic life with long lasting effects12% of notifiers
Aggregated from 75 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P272, P273, P280, P301+P316, P302+P352, P303+P361+P353, P321, P331, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P235, P405, P501
Identifiers
CAS number
292-64-8SMILES
C1CCCCCCC1InChIKey
WJTCGQSWYFHTAC-UHFFFAOYSA-NInChI
InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
1 names
- NSC 72426
Work with Cyclooctane
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
Cyclohexane110-82-7100 % similar
Cyclopentane287-92-3100 % similar
Cycloheptane291-64-5100 % similar
Cyclodecane293-96-9100 % similar
Cyclododecane294-62-2100 % similar
Cyclopentadecane295-48-7100 % similar
Cyclopropane75-19-4100 % similar
Piperidine110-89-433 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.