2,3,4-Trimethylheptane
Basic information
- CAS
52896-95-4- Standard SMILES
CCCC(C)C(C)C(C)C- InChIKey
UVVYAKOLFKEZEE-UHFFFAOYSA-N- Molecular formula
- C10H22
- Average molar mass
- 142.28 g/mol
- Monoisotopic mass
- 142.1721507
Names & identifiers
- Preferred name
- 2,3,4-Trimethylheptane
- IUPAC
- 2,3,4-trimethylheptane
- English name
- 2,3,4-Trimethylheptane.
- Molecular formula
- C10H22
- Molecular weight
- 142.28
Names & synonyms
2,3,4-Trimethylheptane52896-95-4DTXSID30871407RefChem:81338DTXCID20819075UVVYAKOLFKEZEE-UHFFFAOYSA-NHeptane, 2,3,4-trimethyl-2,3,4-Trimethylheptane.SCHEMBL598772SCHEMBL1973429SCHEMBL3917215SCHEMBL5984486
Show more names
SCHEMBL7669281SCHEMBL10741040SCHEMBL15170059Q5651189
Database identifiers
- CAS
52896-95-4- PubChem CID
- 93280
- DTXSID
DTXSID30871407- Nikkaji
- J121.053J
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 74.1
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -53.99 °C · -53.99°C
- Boiling point
- 159.91 °C · 159.91°C
- Density
- 0.745 · 0.7450
- refractive index
- 1.4172 · 1.4172
- Henry's Law Constant
- 9.9 · 9.9×10-7 mol/(m3Pa) at 25℃, Yaws (2003)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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