Chemical Property of 1,3,5-Hexatriene
Chemical Property:
- Vapor Pressure:103mmHg at 25°C
- Melting Point:-11.7°C
- Refractive Index:n20/D 1.511(lit.)
- Boiling Point:78.2°Cat760mmHg
- Flash Point:°C
- PSA：0.00000
- Density:0.719g/cm3
- LogP:1.91460
- Storage Temp.:−20°C
- XLogP3:2.5
- Hydrogen Bond Donor Count:0
- Hydrogen Bond Acceptor Count:0
- Rotatable Bond Count:2
- Exact Mass:80.062600255
- Heavy Atom Count:6
- Complexity:58.1
- Purity/Quality:
-
97% *data from raw suppliers
(3E)-1,3,5-HEXATRIENE 95.00% *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:Xn
- Statements:
10-22-36-65
- Safety Statements:
26-36-62
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:C=CC=CC=C
- Isomeric SMILES:C=C/C=C/C=C
-
Description
1,3,5-hexatriene is the simplest conjugated triene, and its structure predicts two geometrical isomers, the cis form being the open chain analog of benzene. With a single sigma bond separating the pi bonds of 1,3,5-hexatriene it is a conjugated system and some of the pi electron density will be delocalized between each of the C-C bonds, not just those written as double bonds in the Lewis structure. There are six adjacent carbon atoms involved in the pi system and the combination of a p orbital from each of these six atoms will result in six pi molecular orbitals: ψ1, ψ2, ψ3, ψ4*, ψ5*, and ψ6* (also referred to as π1, π2, π3, π4*, π5*and π6*).
