Try beta.chemspider
Acenaphtho[3,2,1,8-lmnoa]benzo[e]acephenanthrylene
c1ccc2c(c1)c3cc4ccc5ccc6ccc7cc2c3c8c4c5c6c78
InChI=1S/C26H12/c1-2-4-18-17(3-1)19-11-15-9-7-13-5-6-14-8-10-16-12-20(18)25(19)26-23(15)21(13)22(14)24(16)26/h1-12H
HHFBCIFLBXONKI-UHFFFAOYSA-N
CSID:10008941, http://www.chemspider.com/Chemical-Structure.10008941.html (accessed 17:45, Jul 3, 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) = 8.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 458.14 (Adapted Stein & Brown method) Melting Pt (deg C): 193.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.3E-009 (Modified Grain method) Subcooled liquid VP: 3.08E-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): 0.0002979 log Kow used: 8.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.1627e-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]: 7.594E-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) : 0.5931 Biowin2 (Non-Linear Model) : 0.1683 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4823 (weeks-months) Biowin4 (Primary Survey Model) : 3.3797 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1705 Biowin6 (MITI Non-Linear Model): 0.0022 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1338 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 3.5513 BioHC Half-Life (days) : 3558.4377 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 4.11E-005 Pa (3.08E-007 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0731 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.725 Mackay model : 0.854 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 625.9651 E-12 cm3/molecule-sec Half-Life = 0.017 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 12.303 Min Ozone Reaction: OVERALL Ozone Rate Constant = 118.785004 E-17 cm3/molecule-sec Half-Life = 0.010 Days (at 7E11 mol/cm3) Half-Life = 13.893 Min Fraction sorbed to airborne particulates (phi): 0.79 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.116E+007 Log Koc: 7.048 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 = 2.414 (BCF = 259.5) log Kow used: 8.75 (estimated) Volatilization from Water: Henry LC: 7.59E-006 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 140.7 hours (5.863 days) Half-Life from Model Lake : 1686 hours (70.25 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 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 0.00228 0.148 1000 Water 1.91 900 1000 Soil 28.1 1.8e+003 1000 Sediment 70 8.1e+003 0 Persistence Time: 3.1e+003 hr
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