Basic information
- CAS
591-96-8- Standard SMILES
CC=C=CC- InChIKey
PODAMDNJNMAKAZ-UHFFFAOYSA-N- Molecular formula
- C5H8
- Average molar mass
- 68.12 g/mol
- Monoisotopic mass
- 68.06260026
Overview
structure in first source
Names & identifiers
- Preferred name
- 1,3-Dimethylallene
- IUPAC
- penta-2,3-diene
- English name
- 2,3-PENTADIENE
- Molecular formula
- C5H8
- Molecular weight
- 68.12
Names & synonyms
1,3-DimethylalleneRefChem:819312,3-Pentadienepenta-2,3-diene591-96-8CH3CH=C=CHCH33lambda5-penta-2,3-dieneSCHEMBL60411SCHEMBL355884SCHEMBL2504052SCHEMBL3839019SCHEMBL5735436
Show more names
sym-dimethylallene2,3-Pentadiene (6CI,8CI,9CI)
DTXSID30207848AKOS006275131InChI=1/C5H8/c1-3-5-4-2/h3-4H,1-2HQ19885507
Database identifiers
- CAS
591-96-8- PubChem CID
- 136378
- DTXSID
DTXSID30207848- Nikkaji
- J43.497C、J87.926F、J87.927D
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 42.9
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -125.65 °C · -125.65°C
- Boiling point
- 48.2 °C · 48.2°C
- Density
- 0.69 · 0.6900
- refractive index
- 1.4251 · 1.4251
- Henry's Law Constant
- 1.1 · 1.1×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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