Dibenzo[b,d]furan-2-carbaldehyde
c1ccc2c(c1)c3cc(ccc3o2)C=O
InChI=1S/C13H8O2/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13/h1-8H
OVJMIWIVPWPZMN-UHFFFAOYSA-N
CSID:191564, http://www.chemspider.com/Chemical-Structure.191564.html (accessed 15:00, Mar 29, 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) = 3.77 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 343.62 (Adapted Stein & Brown method) Melting Pt (deg C): 108.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.84E-005 (Modified Grain method) Subcooled liquid VP: 0.000187 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): 2.156 log Kow used: 3.77 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.3066 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aldehydes Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.02E-007 atm-m3/mole Group Method: 5.35E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.401E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.77 (KowWin est) Log Kaw used: -5.380 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.150 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0707 Biowin2 (Non-Linear Model) : 0.9999 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7298 (weeks-months) Biowin4 (Primary Survey Model) : 3.8384 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7926 Biowin6 (MITI Non-Linear Model): 0.8543 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4687 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0249 Pa (0.000187 mm Hg) Log Koa (Koawin est ): 9.150 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00012 Octanol/air (Koa) model: 0.000347 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00433 Mackay model : 0.00953 Octanol/air (Koa) model: 0.027 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 22.1113 E-12 cm3/molecule-sec Half-Life = 0.484 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.805 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00693 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2230 Log Koc: 3.348 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 = 2.200 (BCF = 158.6) log Kow used: 3.77 (estimated) Volatilization from Water: Henry LC: 5.35E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1534 hours (63.93 days) Half-Life from Model Lake : 1.686E+004 hours (702.3 days) Removal In Wastewater Treatment: Total removal: 20.79 percent Total biodegradation: 0.25 percent Total sludge adsorption: 20.52 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.395 11.6 1000 Water 16.9 900 1000 Soil 80.4 1.8e+003 1000 Sediment 2.32 8.1e+003 0 Persistence Time: 1.13e+003 hr
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