Basic information
- CAS
504-64-3- Standard SMILES
O=C=C=C=O- InChIKey
GNEVIACKFGQMHB-UHFFFAOYSA-N- Molecular formula
- C3O2
- Average molar mass
- 68.03 g/mol
- Monoisotopic mass
- 67.98982924
Overview
Carbon suboxide is a carbon oxide and a member of allenes.
Names & identifiers
- Preferred name
- 1,2-Propadiene-1,3-dione
- IUPAC
- propa-1,2-diene-1,3-dione
- English name
- tricarbon dioxide
- Molecular formula
- C3O2
- Molecular weight
- 68.03
Names & synonyms
Carbon suboxide504-64-31,2-Propadiene-1,3-dionepropa-1,2-diene-1,3-dione9M2M4H5WEJC3O2CHEBI:30086DTXSID70198443C3-O2RefChem:123572DTXCID00120934Carbon oxide (C3O2)
Show more names
1,3-Allenedione1,3-Dioxopropadiene1,2-Propanediene-1,3-dione1,2-Propadiene-1,3-dione (9CI)
O=C=C=C=Otricarbon dioxidepropadiene-1,3-dioneUNII-9M2M4H5WEJcarbonyl ketene1,3-Allenedione #CARBON SUBOXIDE [MI]SCHEMBL450667
Database identifiers
- CAS
504-64-3- PubChem CID
- 136332
- DTXSID
DTXSID70198443- ChEBI
CHEBI:30086- UNII
- 9M2M4H5WEJ
- Nikkaji
- J2.589.465K、J406E
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 91.3
Experimental & physicochemical properties
SpringerMaterials PropertiesDunham energy parameter
Physicochemical properties
- Melting point
- -111.3 ° · -111.3°
- Boiling point
- 760 · bp760 6.8°
- Density
- 40 · d40 1.114
- refractive index
- 0 D · n0D 1.45384; nD-12 1.46757
- solubility
- 2 O · reacts with H2O
- form
- colorless gas
- color
- colorless
- Water Solubility
- 2 O · forms malonic acid with H2O [MER06]
- Henry's Law Constant
- 1.1 · 1.1×10-2 mol/(m3Pa) at 25℃, Ke\ss (2017)
- FDA UNII
- 9 M2M4H5WEJ · 9M2M4H5WEJ
Chemistry & industry
Applications
Usespreparation of malonates; improving dye affinity of fibers.
Preparation methods
PreparationCarbon suboxide is prepared by dehydration of malonic acid with phosphorus pentoxide in vacuum at 140 to 150°C: CH2(COOH)2→ C3O2 + 2H2O Alternatively, the compound may be prepared by thermal dissociation of diacetyltartaric anhydride.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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