Basic information
- CAS
3982-64-7- Standard SMILES
CCCc1cc(C)cc(C)c1- InChIKey
NBICXWXPZRNMPF-UHFFFAOYSA-N- Molecular formula
- C11H16
- Average molar mass
- 148.24 g/mol
- Monoisotopic mass
- 148.12520051
Names & identifiers
- Preferred name
- 1,3-Dimethyl-5-propylbenzene
- IUPAC
- 1,3-dimethyl-5-propylbenzene
- English name
- 1,3-dimethyl-5-propylbenzene
- Molecular formula
- C11H16
- Molecular weight
- 148.24
Names & synonyms
1,3-Dimethyl-5-propylbenzene3982-64-7DTXSID30334507RefChem:1052879DTXCID00285597m-xylene, 5-propyl-Benzene, 1,3-dimethyl-5-propyl-SCHEMBL597287SCHEMBL6130297SCHEMBL8060136SCHEMBL8461537SCHEMBL16955733
Show more names
SCHEMBL27692561SCHEMBL288260161,3-Dimethyl-5-n-Propylbenzene
Database identifiers
- CAS
3982-64-7- PubChem CID
- 520962
- DTXSID
DTXSID30334507- Nikkaji
- J437.536J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 96.6
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -59.1 °C · -59.1°C
- Boiling point
- 202.24 °C · 202.24°C
- Density
- 0.8568 · 0.8568
- refractive index
- 1.493 · 1.4930
- Henry's Law Constant
- 9.3 · 9.3×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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