Heptene
Properties
- Molecular formula
- C7H14
- Molar mass
- 98.19 g/mol
- Exact mass
- 98.1096 Da
- Density
- 0.697 g/mL (at 20 °C)
- Melting point
- −119.7 °C
- Boiling point
- 93.6 °C
- Flash point
- 0 °C (closed cup)
- Water solubility
- 18.2 mg/L
- logP
- 2.75Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 4
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H304 May be fatal if swallowed and enters airways100% of notifiers
- H400 Very toxic to aquatic life100% of notifiers
- H410 Very toxic to aquatic life with long lasting effects100% of notifiers
Aggregated from 108 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, P391, P403+P235, P405, P501
Identifiers
CAS number
592-76-7SMILES
C=CCCCCCInChIKey
ZGEGCLOFRBLKSE-UHFFFAOYSA-NInChI
InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- 1-Heptene
- 1-n-Heptene
- n-Hept-1-ene
- NSC 74130
Work with Heptene
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-Octene111-66-094 % similar
1-Dodecene112-41-494 % similar
1-Octadecene112-88-994 % similar
1-Tetradecene1120-36-194 % similar
1-Nonene124-11-894 % similar
1-Pentadecene13360-61-794 % similar
1-Docosene1599-67-394 % similar
1-Nonadecene18435-45-594 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.