Benzo[pqr]tetraphene
c1ccc2c(c1)cc3ccc4cccc5c4c3c2cc5 CopyCopied
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 CopyCopied
FMMWHPNWAFZXNH-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
Benzo[a]pyrene
1,2-Benzpyrene (VAN)
benz[a]pyrene
Benzo(a)pyrene [Wiki]
Benzo[a]pyren
Benzo[pqr]tetraphene [ACD/IUPAC Name]
(B(a)P)
1,2-Benzopyrene
1,2-Benzpyrene
1911333 [Beilstein]
192-97-2 [RN]
200-028-5 [EINECS]
205-892-7 [EINECS]
23239-88-5 [RN]
3,4 Benzopyrene
3,4 Benzpyrene
3,4-Benz(a)pyrene
3,4-benz[a]pyrene
3,4-Benzo(a)pyrene
3,4-Benzopyrene
3,4-Benzpyren [German]
3,4-Benzpyrene
3,4-benzylpyrene
3,4-BP
34505-58-3 [RN]
4,5-BENZPYRENE
4-14-00-01129 (Beilstein Handbook Reference) [Beilstein]
42299-33-2 [RN]
50-32-8 [RN]
6,7-Benzopyrene
6699-27-0 [RN]
71123-91-6 [RN]
819804-28-9 [RN]
B(a)P
B[A]P
Benz(a)pyrene
Benzo(d,e,f)chrysene
Benzo(def)chrysene
Benzo[d,e,f]chrysene
benzo[def]chrysene
Benzopyrene [Wiki]
Benzpyrene [Wiki]
D001564
苯並［a］芘 [Chinese]
CHEBI:29865 [DBID]
12780_FLUKA [DBID]
36952_RIEDEL [DBID]
48564_SUPELCO [DBID]
AI3-02081 [DBID]
AI3-50461 [DBID]
B1760_SIGMA [DBID]
BRN 0638434 [DBID]
C07527 [DBID]
C07535 [DBID]
c0950 [DBID]
Caswell No. 430A [DBID]
CCRIS 76 [DBID]
D00552 [DBID]
DivK1c_000932 [DBID]
DivK1c_007049 [DBID]
EPA Pesticide Chemical Code 097001 [DBID]
HSDB 2554 [DBID]
HSDB 7225 [DBID]
KBio1_000932 [DBID]
KBio1_001993 [DBID]
KBio2_000474 [DBID]
KBio2_002385 [DBID]
KBio2_003042 [DBID]
KBio2_004953 [DBID]
KBio2_005610 [DBID]
KBio2_007521 [DBID]
KBio3_001408 [DBID]
KBio3_002470 [DBID]
KBioGR_000658 [DBID]
KBioGR_001138 [DBID]
KBioSS_000474 [DBID]
KBioSS_002390 [DBID]
NCGC00016352-01 [DBID]
NCI60_001824 [DBID]
NINDS_000932 [DBID]
NSC 122792 [DBID]
NSC 21914 [DBID]
NSC 41531 [DBID]
NSC122792 [DBID]
NSC21914 [DBID]
NSC41531 [DBID]
NSC4688 [DBID]
Prestwick_991 [DBID]
Prestwick0_000712 [DBID]
Prestwick1_000712 [DBID]
RCRA waste no. U022 [DBID]
RCRA waste number U022 [DBID]
SPBio_000134 [DBID]
SPBio_001122 [DBID]
SPBio_002844 [DBID]
SpecPlus_000953 [DBID]
Spectrum_000074 [DBID]
Spectrum_001871 [DBID]
Spectrum2_000117 [DBID]
Spectrum2_001081 [DBID]
Spectrum3_000314 [DBID]
Spectrum3_001695 [DBID]
Spectrum4_000249 [DBID]
Spectrum4_000609 [DBID]
ZINC04555944 [DBID]
Data supplied by datasources and users.
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 5.99 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 377.03 (Adapted Stein & Brown method) Melting Pt (deg C): 133.41 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.44E-006 (Modified Grain method) Subcooled liquid VP: 2.99E-005 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.1743 log Kow used: 5.99 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.013285 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.59E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.648E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.99 (KowWin est) Log Kaw used: -1.833 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.823 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6274 Biowin2 (Non-Linear Model) : 0.3603 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6416 (weeks-months) Biowin4 (Primary Survey Model) : 3.4837 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0501 Biowin6 (MITI Non-Linear Model): 0.0176 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2073 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.7996 BioHC Half-Life (days) : 63.0327 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00399 Pa (2.99E-005 mm Hg) Log Koa (Koawin est ): 7.823 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000753 Octanol/air (Koa) model: 1.63E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0265 Mackay model : 0.0568 Octanol/air (Koa) model: 0.0013 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 384.7934 E-12 cm3/molecule-sec Half-Life = 0.028 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 20.014 Min Ozone Reaction: OVERALL Ozone Rate Constant = 20.424999 E-17 cm3/molecule-sec Half-Life = 0.056 Days (at 7E11 mol/cm3) Half-Life = 1.347 Hrs Fraction sorbed to airborne particulates (phi): 0.0416 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.535E+005 Log Koc: 5.404 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.916 (BCF = 8244) log Kow used: 5.99 (estimated) Volatilization from Water: Henry LC: 0.000359 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.211 hours Half-Life from Model Lake : 179.1 hours (7.464 days) Removal In Wastewater Treatment: Total removal: 92.17 percent Total biodegradation: 0.76 percent Total sludge adsorption: 91.08 percent Total to Air: 0.33 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0124 0.446 1000 Water 3.79 900 1000 Soil 41.3 1.8e+003 1000 Sediment 54.9 8.1e+003 0 Persistence Time: 2.1e+003 hr
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