Basic information
- CAS
3074-75-7- Standard SMILES
CCC(CC)CC(C)C- InChIKey
KYCZJIBOPKRSOV-UHFFFAOYSA-N- Molecular formula
- C9H20
- Average molar mass
- 128.25 g/mol
- Monoisotopic mass
- 128.15650064
Overview
4-ethyl-2-methylhexane has been reported in Plakortis angulospiculatus with data available.
Names & identifiers
- Preferred name
- 4-Ethyl-2-methylhexane
- IUPAC
- 4-ethyl-2-methylhexane
- English name
- 4-Ethyl-2-methylhexane.
- Molecular formula
- C9H20
- Molecular weight
- 128.26
Names & synonyms
4-Ethyl-2-methylhexaneHexane, 4-ethyl-2-methyl-2-METHYL-4-ETHYLHEXANEHexane, 3-ethyl-5-methylDTXSID70184765RefChem:98863DTXCID10107256KYCZJIBOPKRSOV-UHFFFAOYSA-N3074-75-74-Ethyl-2-methylhexane.4-ethyl-2-methyl-hexaneSCHEMBL59580
Show more names
SCHEMBL597708SCHEMBL1971833SCHEMBL3632450SCHEMBL4619281SCHEMBL4620785SCHEMBL4623187SCHEMBL5985948SCHEMBL9203043
Database identifiers
- CAS
3074-75-7- PubChem CID
- 18312
- DTXSID
DTXSID70184765- Nikkaji
- J100.624J
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 51.1
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -112.99 °C · -112.99°C
- Boiling point
- 133.81 °C · 133.81°C
- Density
- 0.719 · 0.7190
- refractive index
- 1.4046 · 1.4046
- Water Solubility
- 359 ug/L · 359ug/L(temperature not stated)
- Henry's Law Constant
- 1.6 · 1.6×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- LogP
- 4.981 · 4.981 (est)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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