1,4-Hexadiene
Properties
- Molecular formula
- C6H10
- Molar mass
- 82.15 g/mol
- Exact mass
- 82.0783 Da
- Density
- 0.7 g/mL (at 20 °C)
- Melting point
- below 25 °C
- Boiling point
- 65 °C
- Flash point
- -21.1 °C (closed cup)
- logP
- 2.14Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 2
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation93.6% of notifiers
- H319 Causes serious eye irritation93.6% of notifiers
- H335 May cause respiratory irritation91.5% of notifiers
Aggregated from 47 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, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
592-45-0SMILES
C=CCC=CCInChIKey
PRBHEGAFLDMLAL-UHFFFAOYSA-NInChI
InChI=1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Work with 1,4-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
1,4-Pentadiene591-93-550 % similar
1-Butene106-98-935 % similar
Pent-2-ene109-68-235 % similar
Diallyl disulfide2179-57-935 % similar
cis-2-Pentene627-20-335 % similar
trans-2-Pentene646-04-835 % similar
Propylene115-07-133 % similar
1-Bromo-2-butene4784-77-433 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.