Try beta.chemspider
3,3,7,7-Tetraphenyl-3,7-dihydro-1H,5H-furo[3,4-f][2]benzofuran-1,5-dione
c1ccc(cc1)C2(c3cc4c(cc3C(=O)O2)C(OC4=O)(c5ccccc5)c6ccccc6)c7ccccc7
InChI=1S/C34H22O4/c35-31-27-22-30-28(32(36)38-34(30,25-17-9-3-10-18-25)26-19-11-4-12-20-26)21-29(27)33(37-31,23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-22H
KSZOVORHXSPSNT-UHFFFAOYSA-N
CSID:290033, http://www.chemspider.com/Chemical-Structure.290033.html (accessed 23:27, Jul 5, 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) = 6.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 699.03 (Adapted Stein & Brown method) Melting Pt (deg C): 305.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.28E-016 (Modified Grain method) Subcooled liquid VP: 1.77E-013 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): 0.005343 log Kow used: 6.04 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.0286e-006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.28E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.559E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.04 (KowWin est) Log Kaw used: -10.281 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.321 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0050 Biowin2 (Non-Linear Model) : 0.9996 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0505 (months ) Biowin4 (Primary Survey Model) : 3.3048 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2444 Biowin6 (MITI Non-Linear Model): 0.0317 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7154 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): 2.36E-011 Pa (1.77E-013 mm Hg) Log Koa (Koawin est ): 16.321 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.27E+005 Octanol/air (Koa) model: 5.14E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 19.1632 E-12 cm3/molecule-sec Half-Life = 0.558 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.698 Hrs Ozone Reaction: No Ozone Reaction Estimation 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 : 8.281E+007 Log Koc: 7.918 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 = 3.954 (BCF = 9002) log Kow used: 6.04 (estimated) Volatilization from Water: Henry LC: 1.28E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.017E+009 hours (4.238E+007 days) Half-Life from Model Lake : 1.11E+010 hours (4.624E+008 days) Removal In Wastewater Treatment: Total removal: 92.32 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.55 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 0.0845 13.4 1000 Water 2.66 1.44e+003 1000 Soil 41.8 2.88e+003 1000 Sediment 55.5 1.3e+004 0 Persistence Time: 4.29e+003 hr
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