Basic information
- CAS
4537-12-6- Standard SMILES
CCCCCCC(CCC)c1ccccc1- InChIKey
QTDBKYLPIZUTFN-UHFFFAOYSA-N- Molecular formula
- C16H26
- Average molar mass
- 218.38 g/mol
- Monoisotopic mass
- 218.20345083
Names & identifiers
- Preferred name
- Benzene, (1-propylheptyl)-
- IUPAC
- decan-4-ylbenzene
- English name
- 4-phenyldecane
- Molecular formula
- C16H26
- Molecular weight
- 218.38
Names & synonyms
4-PhenyldecaneBenzene, (1-propylheptyl)-(1-PROPYLHEPTYL)BENZENEDecane, 4-phenyl-(4-Decyl)benzeneDTXSID30874872RefChem:117266DTXCID301012996QTDBKYLPIZUTFN-UHFFFAOYSA-N4537-12-6decan-4-ylbenzene(Decan-4-yl)benzene
Show more names
SCHEMBL557339SCHEMBL816937SCHEMBL5480284SCHEMBL7262623SCHEMBL17183641SCHEMBL17183643SCHEMBL21633720NS00095868
Database identifiers
- CAS
4537-12-6- PubChem CID
- 20658
- DTXSID
DTXSID30874872- Nikkaji
- J144.888I
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
LogP7.0
Physicochemical properties
- Boiling point
- 87 °C · 87 °C(Press: 0.2 Torr)
- Density
- 0.856 · 0.856±0.06 g/cm3(Predicted)
- Henry's Law Constant
- 9.2 · 9.2×10-5 mol/(m3Pa) at 25℃, Sherblom et al. (1992)
- EPA Substance Registry System
- 4 · 4-Phenyldecane (4537-12-6)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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