Basic information
- CAS
2132-85-6- Standard SMILES
CCCCC(CC)c1ccccc1- InChIKey
QXZANYPVYZTYBN-UHFFFAOYSA-N- Molecular formula
- C13H20
- Average molar mass
- 176.3 g/mol
- Monoisotopic mass
- 176.15650064
Names & identifiers
- Preferred name
- (3-Heptyl)benzene
- IUPAC
- heptan-3-ylbenzene
- English name
- (3-heptyl)benzene
- Molecular formula
- C13H20
- Molecular weight
- 176.3
Names & synonyms
(3-Heptyl)benzene2132-85-6RefChem:1050102Benzene,(1-ethylpentyl)-(1-ethylpentyl)benzeneBenzene, 1-ethylpentyl3-phenylheptane(Heptan-3-yl)benzeneSCHEMBL598619SCHEMBL815083SCHEMBL815923SCHEMBL3385362
Show more names
Benzene, (1-ethylpentyl)-
SCHEMBL3432105SCHEMBL5259569SCHEMBL29288755DTXSID10943838
Database identifiers
- CAS
2132-85-6- PubChem CID
- 137441
- DTXSID
DTXSID10943838- Nikkaji
- J192.950J
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 111
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 105 °C · 105 °C(Press: 16 Torr)
- Density
- 0.856 g/cm3 · 0.856 g/cm3(Temp: 25 °C)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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