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Molecule
2,5-Dimethylstyrene
CAS: 2039-89-6 · C10H12
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2039-89-6
- Molecular Formula
- C10H12
- Molecular Mass
- 132.21 g/mol
Identifiers
CAS Registry Number
2039-89-6
SMILES
C=Cc1cc(C)ccc1C
InChI Key
DBWWINQJTZYDFK-UHFFFAOYSA-N
InChI
InChI=1S/C10H12/c1-4-10-7-8(2)5-6-9(10)3/h4-7H,1H2,2-3H3
Names and Synonyms
- 2,5-Dimethylstyrene Synonym
- Benzene, 2-ethenyl-1,4-dimethyl- Synonym
- Styrene, 2,5-dimethyl- Synonym
- 2-Ethenyl-1,4-dimethylbenzene Synonym
- 2,5-Dimethylstyrene Synonym
- 1,4-Dimethyl-2-vinylbenzene Synonym
- NSC 73477 Synonym
- 1,4-Dimethyl-2-ethenylbenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.21 g/mol | CAS Common Chemistry |
| 132.206 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.902 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | C=CC1=CC(=CC=C1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H12/c1-4-10-7-8(2)5-6-9(10)3/h4-7H,1H2,2-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DBWWINQJTZYDFK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -36.8--34.8 °C | CAS Common Chemistry |
| Name | 2,5-Dimethylstyrene | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.9464400000000017 | RDKit |
| 2.9464 | RDKit | |
| Molar Refractivity | 46.007000000000026 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 132.093900384 g/mol | RDKit |
| Boiling Point | 82-83 °C @ 23 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 132.21 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H12.
