Substance
- Substance Name: benzo[a]pyrene
- Formula: C20H12
- Molecular Weight: 252.3 g/mol
- Identifiers:
- casrn: 50-32-8
- pubchemId: 2336
- iupacname: benzo[a]pyrene
- inchi: InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H
- inchikey: FMMWHPNWAFZXNH-UHFFFAOYSA-N
- csmiles: C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3
- ismiles: C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3
- wikidataId: Q306051
- chemspiderId: 2246
- dsstoxcmpId: DTXCID40139
- chemblId: CHEMBL31184
- ecnumber: 200-028-5
benzo[a]pyrene
Systems and Datasets
- benzo[a]pyrene (Datasets: 2)
- Dataset 9 in paper 10.1021/je7005133 (Dataseries: 1, Datapoints: 16, Quantity: Vapor pressure)
- Dataset 22 in paper 10.1021/je800300x (Dataseries: 1, Datapoints: 23, Quantity: Vapor pressure)
- benzo[a]pyrene + water + 1-butyl-3-methylimidazolium hexafluorophosphate (Datasets: 1)
- Dataset 12 in paper 10.1021/je049879e (Dataseries: 1, Datapoints: 1, Quantity: Mass concentration)
- benzo[a]pyrene + water + 1-octyl-3-methylimidazolium hexafluorophosphate (Datasets: 1)
- Dataset 26 in paper 10.1021/je049879e (Dataseries: 1, Datapoints: 1, Quantity: Mass concentration)
- benzo[a]pyrene + water (Datasets: 1)
- Dataset 11 in paper 10.1021/je300954s (Dataseries: 1, Datapoints: 1, Quantity: Henry's Law constant (amount concentration scale))