Try beta.chemspider
6-(Dibenzo[b,d]furan-2-yl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene
COc1cc2c(cc1OC)C(OC3C2CCCC3)c4ccc5c(c4)c6ccccc6o5
InChI=1S/C27H26O4/c1-28-25-14-19-17-7-3-6-10-23(17)31-27(21(19)15-26(25)29-2)16-11-12-24-20(13-16)18-8-4-5-9-22(18)30-24/h4-5,8-9,11-15,17,23,27H,3,6-7,10H2,1-2H3
BWCLFDYZBYENDD-UHFFFAOYSA-N
CSID:4465609, http://www.chemspider.com/Chemical-Structure.4465609.html (accessed 11:20, Jul 12, 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) = 6.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 532.80 (Adapted Stein & Brown method) Melting Pt (deg C): 227.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.67E-011 (Modified Grain method) Subcooled liquid VP: 4.02E-009 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): 0.0002434 log Kow used: 6.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.6351e-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 : 9.99E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.983E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.91 (KowWin est) Log Kaw used: -8.389 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.299 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6533 Biowin2 (Non-Linear Model) : 0.7341 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0253 (months ) Biowin4 (Primary Survey Model) : 3.4028 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2128 Biowin6 (MITI Non-Linear Model): 0.0424 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3940 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): 5.36E-007 Pa (4.02E-009 mm Hg) Log Koa (Koawin est ): 15.299 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.6 Octanol/air (Koa) model: 489 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.995 Mackay model : 0.998 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 104.6411 E-12 cm3/molecule-sec Half-Life = 0.102 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.227 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.996 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.543E+006 Log Koc: 6.188 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 = 4.619 (BCF = 4.162e+004) log Kow used: 6.91 (estimated) Volatilization from Water: Henry LC: 9.99E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.193E+007 hours (4.972E+005 days) Half-Life from Model Lake : 1.302E+008 hours (5.424E+006 days) Removal In Wastewater Treatment: Total removal: 93.80 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.02 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 0.0171 2.45 1000 Water 1.53 1.44e+003 1000 Soil 34.7 2.88e+003 1000 Sediment 63.7 1.3e+004 0 Persistence Time: 4.93e+003 hr
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