Molecular properties
- Formula
- C8H8
- Molar mass
- 104.15 g·mol−1
- Exact mass
- 104.0626 Da
- 5
- 0
- 0
- 0.00 Ų
- 2.9 (PubChem computed XLogP3-AA descriptor)
- CAS
- 100-42-5
- PubChem CID
- 7501
Molecule record
STYRENE
C8H8
104.15 g/mol
Interactions
- Polarity
- Often weakly polar or nonpolar unless other structural features dominate.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alkene
Aromatic ring
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 2.9 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 100-42-5
- Benzene, ethenyl-
- Benzene, vinyl-
- Cinnamene
- Cinnamenol
- Cinnamol
- Ethenylbenzene
- Ethylene, phenyl-
Show all 22 synonyms
- Phenethylene
- Phenylethene
- Phenylethylene
- Stirolo
- Styren
- Styrene monomer
- Styrol
- Styrole
- Styrolene
- Styropol SO
- Vinyl benzene
- Vinylbenzen
- Vinylbenzene
- Vinylbenzol
Structure identifiers
- Canonical SMILES
- C=CC1=CC=CC=C1
- Isomeric SMILES
- C=CC1=CC=CC=C1
- InChI
- InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
- InChIKey
- PPBRXRYQALVLMV-UHFFFAOYSA-N
- PubChem CID
- 7501
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for STYRENE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for STYRENE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.