1,5-Hexadiene
Properties
- Molecular formula
- C6H10
- Molar mass
- 82.15 g/mol
- Exact mass
- 82.0783 Da
- Density
- 0.7106 g/mL (at 0 °C)
- Melting point
- −140.7 °C
- Boiling point
- 59.4 °C
- logP
- 2.14Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 3
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H304 May be fatal if swallowed and enters airways90.4% of notifiers
- H315 Causes skin irritation28.1% of notifiers
- H319 Causes serious eye irritation30% of notifiers
- H335 May cause respiratory irritation37.8% of notifiers
Aggregated from 270 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
592-42-7SMILES
C=CCCC=CInChIKey
PYGSKMBEVAICCR-UHFFFAOYSA-NInChI
InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Biallyl
- Diallyl
- α,ω-Hexadiene
- NSC 60690
Reactions
Work with 1,5-Hexadiene
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
1,6-Heptadiene3070-53-967 % similar
1,7-Octadiene3710-30-367 % similar
1,9-Decadiene1647-16-162 % similar
1,13-Tetradecadiene21964-49-862 % similar
1,8-Nonadiene4900-30-562 % similar
4-Pentenal2100-17-660 % similar
Pentene109-67-153 % similar
3-Buten-1-amine2524-49-453 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.