Try beta.chemspider
4-Methoxy-N-(8-methyl-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)benzenesulfonamide
CC1CCc2c(c3cc(ccc3o2)NS(=O)(=O)c4ccc(cc4)OC)C1
InChI=1S/C20H21NO4S/c1-13-3-9-19-17(11-13)18-12-14(4-10-20(18)25-19)21-26(22,23)16-7-5-15(24-2)6-8-16/h4-8,10,12-13,21H,3,9,11H2,1-2H3
NYBDTHIQZSLAIF-UHFFFAOYSA-N
CSID:3613846, http://www.chemspider.com/Chemical-Structure.3613846.html (accessed 02:29, May 6, 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) = 4.10 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 497.65 (Adapted Stein & Brown method) Melting Pt (deg C): 211.50 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.28E-010 (Modified Grain method) Subcooled liquid VP: 3.15E-008 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): 1.44 log Kow used: 4.10 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.2882 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.00E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.113E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.10 (KowWin est) Log Kaw used: -5.610 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.710 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3553 Biowin2 (Non-Linear Model) : 0.0309 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3115 (weeks-months) Biowin4 (Primary Survey Model) : 3.3792 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0723 Biowin6 (MITI Non-Linear Model): 0.0030 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3252 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): 4.2E-006 Pa (3.15E-008 mm Hg) Log Koa (Koawin est ): 9.710 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.714 Octanol/air (Koa) model: 0.00126 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.963 Mackay model : 0.983 Octanol/air (Koa) model: 0.0915 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 309.5489 E-12 cm3/molecule-sec Half-Life = 0.035 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 24.878 Min Ozone Reaction: OVERALL Ozone Rate Constant = 411.480011 E-17 cm3/molecule-sec Half-Life = 0.003 Days (at 7E11 mol/cm3) Half-Life = 4.010 Min Fraction sorbed to airborne particulates (phi): 0.973 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7623 Log Koc: 3.882 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 = 2.459 (BCF = 287.5) log Kow used: 4.10 (estimated) Volatilization from Water: Henry LC: 6E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.881E+004 hours (783.7 days) Half-Life from Model Lake : 2.053E+005 hours (8556 days) Removal In Wastewater Treatment: Total removal: 34.83 percent Total biodegradation: 0.36 percent Total sludge adsorption: 34.47 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 0.00269 0.0619 1000 Water 16.8 900 1000 Soil 78.1 1.8e+003 1000 Sediment 5.02 8.1e+003 0 Persistence Time: 1.1e+003 hr
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