Molecule
Styrene
CAS: 100-42-5 · C8H8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 100-42-5
- Molecular Formula
- C8H8
- Molecular Mass
- 104.15 g/mol
Identifiers
CAS Registry Number
100-42-5
SMILES
C=Cc1ccccc1
InChI Key
PPBRXRYQALVLMV-UHFFFAOYSA-N
InChI
InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
Names and Synonyms
- Styrene Common Name
- Styrolene Synonym
- Benzene, ethenyl- Synonym
- Styrene Synonym
- Ethenylbenzene Synonym
- Cinnamene Synonym
- Phenethylene Synonym
- Phenylethene Synonym
- Phenylethylene Synonym
- Styrol Synonym
- Styrole Synonym
- Vinylbenzene Synonym
- Vinylbenzol Synonym
- Styropol SO Synonym
- NSC 62785 Synonym
- TTB 7302 Synonym
- Maomin SM Synonym
- S 0095 Synonym
- STC Synonym
- Styrolution PS 124N Synonym
- BYX 6 Synonym
- EM 50 Synonym
- M 00247 Synonym
- PS 124N Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 104.15 g/mol | CAS Common Chemistry |
| 104.15199999999997 g/mol | RDKit | |
| 104.152 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.9060 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Styrene | CAS Common Chemistry |
| Boiling Point | 145 °C | CAS Common Chemistry |
| Canonical SMILES | C=CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PPBRXRYQALVLMV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -31 °C | CAS Common Chemistry |
| Name | Styrene | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 2.3296 | RDKit |
| Molar Refractivity | 36.53300000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 104.062600256 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
| 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 = 104.15 g/mol; density = 0.910 g/mL. Edit any field — others recompute live.
Synthesis
Reactions involving this molecule
Curated and imported reactions where this compound appears as a reactant, catalyst, solvent, or product. Calc-ready entries open the Reaction Scale Calculator pre-anchored on this molecule at 10 mmol; the rest go to the procedure overview.
Related
Related molecules
Other compounds with formula C8H8.
