Cycloheptane
Properties
- Molecular formula
- C7H14
- Molar mass
- 98.19 g/mol
- Exact mass
- 98.1096 Da
- Density
- 0.8098 g/mL (at 20 °C)
- Melting point
- −12 °C
- Boiling point
- 118.48 °C
- Water solubility
- 30 mg/L (25 °C)
- logP
- 2.73Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor83.2% of notifiers
- H304 May be fatal if swallowed and enters airways82.1% of notifiers
- H412 Harmful to aquatic life with long lasting effects13.7% of notifiers
- H413 May cause long lasting harmful effects to aquatic life16.8% of notifiers
Aggregated from 95 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P273, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
291-64-5SMILES
C1CCCCCC1InChIKey
DMEGYFMYUHOHGS-UHFFFAOYSA-NInChI
InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
1 names
- NSC 5164
Work with Cycloheptane
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
Cyclooctane292-64-8100 % 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.