Basic information
- CAS
4537-11-5- Standard SMILES
CCCCCC(CCCC)c1ccccc1- InChIKey
CDOBABYRHNVZQG-UHFFFAOYSA-N- Molecular formula
- C16H26
- Average molar mass
- 218.38 g/mol
- Monoisotopic mass
- 218.20345083
Names & identifiers
- Preferred name
- Benzene, (1-butylhexyl)-
- IUPAC
- decan-5-ylbenzene
- English name
- BENZENE,(1-BUTYLHEXYL)-
- Molecular formula
- C16H26
- Molecular weight
- 218.38
Names & synonyms
5-PhenyldecaneBenzene, (1-butylhexyl)-Decane, 5-phenyl-(5-Decyl)benzene(1-BUTYLHEXYL)BENZENEDTXSID90874873RefChem:117258DTXCID001012997CDOBABYRHNVZQG-UHFFFAOYSA-N4537-11-5decan-5-ylbenzene(1-Butylhexyl)-benzene
Show more names
(Decan-5-yl)benzeneBenzene,(1-butylhexyl)-benzene, (1-butylhexyl)(1-Butylhexyl)benzene #SCHEMBL814949SCHEMBL815962SCHEMBL1921279SCHEMBL3680840
Database identifiers
- CAS
4537-11-5- PubChem CID
- 20657
- DTXSID
DTXSID90874873- Nikkaji
- J144.887K
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 144
Experimental & physicochemical properties
LogP6.9
Physicochemical properties
- Boiling point
- 86.5 · 86.5-87 °C(Press: 0.5 Torr)
- Density
- 0.8563 g/cm3 · 0.8563 g/cm3
- Henry's Law Constant
- 8.4 · 8.4×10-5 mol/(m3Pa) at 25℃, Sherblom et al. (1992)
- EPA Substance Registry System
- 5 · 5-Phenyldecane (4537-11-5)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers6 total
杭州品高化工有限公司0571-87658025 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
大连锐盈科技有限公司0411-86907150 15940963210 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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