1-Octene
Properties
- Molecular formula
- C8H16
- Molar mass
- 112.22 g/mol
- Exact mass
- 112.1252 Da
- Density
- 0.7149 g/mL (at 20 °C)
- Melting point
- −101.7 °C
- Boiling point
- 121.2 °C
- Flash point
- 10 °C (closed cup)
- Water solubility
- 4.1 mg/L
- logP
- 3.14Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 5
Hazards
Danger
- H225 Highly Flammable liquid and vapor94.9% of notifiers
- H304 May be fatal if swallowed and enters airways94.8% of notifiers
- H315 Causes skin irritation17.7% of notifiers
- H411 Toxic to aquatic life with long lasting effects17.7% of notifiers
Aggregated from 2,014 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264, P273, P280, P301+P316, P302+P352, P303+P361+P353, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P235, P405, P501
Identifiers
CAS number
111-66-0SMILES
C=CCCCCCCInChIKey
KWKAKUADMBZCLK-UHFFFAOYSA-NInChI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- α-Octene
- α-Octylene
- n-1-Octene
- Caprylene
- 1-n-Octene
- Gulftene 8
- Dialen 8
- n-Octene-1
- NSC 8457
- Linealene 8
- Octa-1,8-diene
Work with 1-Octene
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
1-Dodecene112-41-4100 % similar
1-Octadecene112-88-9100 % similar
1-Tetradecene1120-36-1100 % similar
1-Nonene124-11-8100 % similar
1-Pentadecene13360-61-7100 % similar
1-Docosene1599-67-3100 % similar
1-Nonadecene18435-45-5100 % similar
1-Tridecene2437-56-1100 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds