Pyrene
Pyrene is a polycyclic aromatic hydrocarbon (PAH) consisting of four fused benzene rings, resulting in a flat aromatic system. The chemical formula is C16H10. This yellow-green solid is the smallest peri-fused PAH (one where the rings are fused through more than one face). Pyrene forms during incomplete combustion of organic compounds.
| Names | |
|---|---|
| Preferred IUPAC name
Pyrene | |
| Other names
Benzo[def]phenanthrene | |
| Identifiers | |
3D model (JSmol) |
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| 1307225 | |
| ChEBI | |
| ChEMBL | |
| ChemSpider | |
| ECHA InfoCard | 100.004.481 |
| 84203 | |
| KEGG | |
PubChem CID |
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| RTECS number |
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| UNII | |
CompTox Dashboard (EPA) |
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| Properties | |
| C16H10 | |
| Molar mass | 202.256 g·mol−1 |
| Appearance | colorless solid
(yellow impurities are often found at trace levels in many samples). |
| Density | 1.271 g/cm3 |
| Melting point | 150.62 °C (303.12 °F; 423.77 K) |
| Boiling point | 394 °C (741 °F; 667 K) |
| 0.049 mg/L (0 °C) 0.139 mg/L (25 °C) 2.31 mg/L (75 °C) | |
| log P | 5.08 |
| Band gap | 2.02 eV |
| -147·10−6 cm3/mol | |
| Structure | |
| Monoclinic | |
| P21/a | |
a = 13.64 Å, b = 9.25 Å, c = 8.47 Å α = 90°, β = 100.28°, γ = 90° | |
Formula units (Z) |
4 |
| Thermochemistry | |
Heat capacity (C) |
229.7 J/(K·mol) |
Std molar entropy (S⦵298) |
224.9 J·mol−1·K−1 |
Std enthalpy of formation (ΔfH⦵298) |
125.5 kJ·mol−1 |
Enthalpy of fusion (ΔfH⦵fus) |
17.36 kJ·mol−1 |
| Hazards | |
| Occupational safety and health (OHS/OSH): | |
Main hazards |
irritant |
| GHS labelling: | |
| Warning | |
| H315, H319, H335, H410 | |
| P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, P501 | |
| NFPA 704 (fire diamond) | |
| Flash point | non-flammable |
| Related compounds | |
Related PAHs |
benzopyrene |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references | |
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