Basic information
- CAS
4534-52-5- Standard SMILES
CCCCCCCCCCC(CC)c1ccccc1- InChIKey
VZZMNLVGDGMQQV-UHFFFAOYSA-N- Molecular formula
- C19H32
- Average molar mass
- 260.5 g/mol
- Monoisotopic mass
- 260.25040102
Names & identifiers
- Preferred name
- Benzene, (1-ethylundecyl)-
- IUPAC
- tridecan-3-ylbenzene
- English name
- 3-phenyltridecane
- Molecular formula
- C19H32
- Molecular weight
- 260.46
Names & synonyms
3-Phenyltridecane4534-52-5tridecan-3-ylbenzeneBenzene, (1-ethylundecyl)-Tridecane, 3-phenyl-DTXSID10875201RefChem:117263DTXCID401013323VZZMNLVGDGMQQV-UHFFFAOYSA-N(Tridecan-3-yl)benzene(1-ETHYLUNDECYL)BENZENE1-ethylundecylbenzene
Show more names
(1-Ethylundecyl)benzene #SCHEMBL3207368SCHEMBL28608609NS00095917F88024F863623
Database identifiers
- CAS
4534-52-5- PubChem CID
- 20635
- DTXSID
DTXSID10875201- Nikkaji
- J144.905B
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 11
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
Chemical ClassesAlkylbenzene
LogP8.65
Physicochemical properties
- Henry's Law Constant
- 2.1 · 2.1×10-4 mol/(m3Pa) at 25℃, Sherblom et al. (1992)
- LogP
- 8.65 · 8.650
- EPA Substance Registry System
- 3 · 3-Phenyltridecane (4534-52-5)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
常州非凡医药科技有限公司0519-82111935 15195055733 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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