Dicyclopenta[cd,lm]perylene
c1cc2c3ccc4c5c3c(ccc5C=C4)c6c2c7c1C=Cc7cc6
InChI=1S/C24H12/c1-2-14-6-10-18-20-12-8-16-4-3-15-7-11-19(24(20)22(15)16)17-9-5-13(1)21(14)23(17)18/h1-12H
STKSNWOTLMRYFR-UHFFFAOYSA-N
CSID:138769, http://www.chemspider.com/Chemical-Structure.138769.html (accessed 20:23, Apr 17, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 6.94 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 450.14 (Adapted Stein & Brown method) Melting Pt (deg C): 189.31 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.27E-009 (Modified Grain method) Subcooled liquid VP: 4.88E-007 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): 0.001125 log Kow used: 6.94 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.1092e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.257E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6046 Biowin2 (Non-Linear Model) : 0.2216 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5354 (weeks-months) Biowin4 (Primary Survey Model) : 3.4144 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0991 Biowin6 (MITI Non-Linear Model): 0.0043 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1338 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.4765 BioHC Half-Life (days) : 299.5993 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 6.51E-005 Pa (4.88E-007 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0461 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.625 Mackay model : 0.787 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 473.8528 E-12 cm3/molecule-sec Half-Life = 0.023 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 16.252 Min Ozone Reaction: OVERALL Ozone Rate Constant = 35.904999 E-17 cm3/molecule-sec Half-Life = 0.032 Days (at 7E11 mol/cm3) Half-Life = 45.961 Min Fraction sorbed to airborne particulates (phi): 0.706 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.918E+006 Log Koc: 6.950 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 = 4.643 (BCF = 4.396e+004) log Kow used: 6.94 (estimated) Volatilization from Water: Henry LC: 3.26E-006 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 313.4 hours (13.06 days) Half-Life from Model Lake : 3564 hours (148.5 days) Removal In Wastewater Treatment: Total removal: 93.82 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.04 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00502 0.317 1000 Water 2.19 900 1000 Soil 29.1 1.8e+003 1000 Sediment 68.7 8.1e+003 0 Persistence Time: 3e+003 hr
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