Try beta.chemspider
4-Ethoxy-N-[8-(2-methyl-2-propanyl)-7,8,9,10-tetrahydrobenzo[b]naphtho[2,1-d]furan-5-yl]benzenesulfonamide
CCOc1ccc(cc1)S(=O)(=O)Nc2cc3c4c(oc3c5c2cccc5)CCC(C4)C(C)(C)C
InChI=1S/C28H31NO4S/c1-5-32-19-11-13-20(14-12-19)34(30,31)29-25-17-24-23-16-18(28(2,3)4)10-15-26(23)33-27(24)22-9-7-6-8-21(22)25/h6-9,11-14,17-18,29H,5,10,15-16H2,1-4H3
JHEDMYLDGZOCOX-UHFFFAOYSA-N
CSID:3386267, http://www.chemspider.com/Chemical-Structure.3386267.html (accessed 17:03, May 23, 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) = 6.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 589.76 (Adapted Stein & Brown method) Melting Pt (deg C): 254.53 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.29E-013 (Modified Grain method) Subcooled liquid VP: 1.36E-010 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): 0.00115 log Kow used: 6.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0024066 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 : 2.69E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.344E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.95 (KowWin est) Log Kaw used: -6.959 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.909 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1208 Biowin2 (Non-Linear Model) : 0.0013 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8648 (months ) Biowin4 (Primary Survey Model) : 3.0726 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2499 Biowin6 (MITI Non-Linear Model): 0.0005 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0272 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): 1.81E-008 Pa (1.36E-010 mm Hg) Log Koa (Koawin est ): 13.909 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 165 Octanol/air (Koa) model: 19.9 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 237.3645 E-12 cm3/molecule-sec Half-Life = 0.045 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.541 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 205.364990 E-17 cm3/molecule-sec Half-Life = 0.006 Days (at 7E11 mol/cm3) Half-Life = 8.036 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 : 7.857E+005 Log Koc: 5.895 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 = 4.653 (BCF = 4.501e+004) log Kow used: 6.95 (estimated) Volatilization from Water: Henry LC: 2.69E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.757E+005 hours (1.982E+004 days) Half-Life from Model Lake : 5.189E+006 hours (2.162E+005 days) Removal In Wastewater Treatment: Total removal: 93.82 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.04 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 0.00125 0.119 1000 Water 1.6 1.44e+003 1000 Soil 30.6 2.88e+003 1000 Sediment 67.8 1.3e+004 0 Persistence Time: 4.54e+003 hr
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