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- Double-bond stereo
(7E)-7-(2-Fluoranthenylmethylene)-7H-benzo[c]fluorene
c1ccc2c(c1)ccc\3c2-c4ccccc4/C3=C\c5cc6cccc-7c6c(c5)-c8c7cccc8
InChI=1S/C34H20/c1-2-10-24-22(8-1)16-17-30-31(27-13-5-6-14-29(27)34(24)30)19-21-18-23-9-7-15-28-25-11-3-4-12-26(25)32(20-21)33(23)28/h1-20H/b31-19+
KBGHTAZKYDRVMS-ZCTHSVRISA-N
CSID:4650938, http://www.chemspider.com/Chemical-Structure.4650938.html (accessed 07:54, Apr 26, 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) = 9.24 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 603.49 (Adapted Stein & Brown method) Melting Pt (deg C): 260.94 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.57E-013 (Modified Grain method) Subcooled liquid VP: 5.98E-011 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): 2.03e-006 log Kow used: 9.24 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.2854e-007 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]: 4.361E-008 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) : 0.5435 Biowin2 (Non-Linear Model) : 0.0441 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2522 (weeks-months) Biowin4 (Primary Survey Model) : 3.2295 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4106 Biowin6 (MITI Non-Linear Model): 0.0003 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9411 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.9232 BioHC Half-Life (days) : 83.7920 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 7.97E-009 Pa (5.98E-011 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 376 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 424.8840 E-12 cm3/molecule-sec Half-Life = 0.025 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 18.125 Min Ozone Reaction: OVERALL Ozone Rate Constant = 35.730000 E-17 cm3/molecule-sec Half-Life = 0.032 Days (at 7E11 mol/cm3) Half-Life = 46.186 Min Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.898E+009 Log Koc: 9.591 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 = 1.742 (BCF = 55.16) log Kow used: 9.24 (estimated) Volatilization from Water: Henry LC: 4.36E-008 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 2.779E+004 hours (1158 days) Half-Life from Model Lake : 3.034E+005 hours (1.264E+004 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.00514 0.338 1000 Water 1.9 900 1000 Soil 28.2 1.8e+003 1000 Sediment 69.9 8.1e+003 0 Persistence Time: 3.11e+003 hr
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