Benzene, 1-methyl-4-(2-methylpropyl)-
Basic information
- CAS
5161-04-6- Standard SMILES
Cc1ccc(CC(C)C)cc1- InChIKey
VCGBZXLLPCGFQM-UHFFFAOYSA-N- Molecular formula
- C11H16
- Average molar mass
- 148.24 g/mol
- Monoisotopic mass
- 148.12520051
Names & identifiers
- Preferred name
- Benzene, 1-methyl-4-(2-methylpropyl)-
- IUPAC
- 1-methyl-4-(2-methylpropyl)benzene
- English name
- 1-methyl-4-isobutylbenzene
- Molecular formula
- C11H16
- Molecular weight
- 148.24
Names & synonyms
5161-04-6Benzene, 1-methyl-4-(2-methylpropyl)-DTXSID50199559RefChem:1078243DTXCID601220501-METHYL-4-ISOBUTYLBENZENE1-methyl-4-(2-methylpropyl)benzeneToluene, p-isobutyl-P-ISOBUTYLTOLUENEpara-methylisobutylbenzeneSCHEMBL196656SCHEMBL282626
Show more names
4-Isobutyltoluene4-Isobutyl-1-methylbenzene
1-Isobutyl-4-methylbenzene #SCHEMBL4226247SCHEMBL9824054SCHEMBL10918313SCHEMBL27485202SCHEMBL27834017SCHEMBL28087815AKOS006272115
Database identifiers
- CAS
5161-04-6- PubChem CID
- 21240
- DTXSID
DTXSID50199559- Nikkaji
- J24.322A
Properties
Computed structural properties
- XLogP
- 3.9
- 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
- -44.72 °C · -44.72°C (estimate)
- Boiling point
- 196 °C · 196°C
- Density
- 0.8478 · 0.8478
- refractive index
- 1.4851 · 1.4851
- Henry's Law Constant
- 9.1 · 9.1×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
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Related reactions
2 records
Compound notes
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