Basic information
- CAS
16747-33-4- Standard SMILES
CCC(C)(CC)C(C)C- InChIKey
MMASVVOQIKCFJZ-UHFFFAOYSA-N- Molecular formula
- C9H20
- Average molar mass
- 128.25 g/mol
- Monoisotopic mass
- 128.15650064
Names & identifiers
- Preferred name
- Pentane, 3-ethyl-2,3-dimethyl-
- IUPAC
- 3-ethyl-2,3-dimethylpentane
- English name
- 3-Ethyl-2,3-dimethyl-pentane
- Molecular formula
- C9H20
- Molecular weight
- 128.26
Names & synonyms
Pentane, 3-ethyl-2,3-dimethyl-16747-33-4DTXSID60168291RefChem:1094497DTXCID20907823-Ethyl-2,3-dimethylpentane3-ETHYL-2,3-DIMETHYL-PENTANESCHEMBL5977852,3-dimethyl-3-ethyl-pentaneSCHEMBL4620528SCHEMBL11723553SCHEMBL12985760
Show more names
SCHEMBL159105982,3-DIMETHYL-3-ETHYLPENTANEQ5651936
Database identifiers
- CAS
16747-33-4- PubChem CID
- 28027
- DTXSID
DTXSID60168291- Nikkaji
- J100.616I
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 68.1
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -99.48 °C · -99.48°C
- Boiling point
- 144.71 °C · 144.71°C
- Density
- 0.751 · 0.7510
- refractive index
- 1.4221 · 1.4221
- Henry's Law Constant
- 1.2 · 1.2×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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