Try beta.chemspider
Ethyl 5-{[(2,4-dimethylphenyl)sulfonyl]amino}-2-phenylnaphtho[1,2-b]furan-3-carboxylate
CCOC(=O)c1c2cc(c3ccccc3c2oc1c4ccccc4)NS(=O)(=O)c5ccc(cc5C)C
InChI=1S/C29H25NO5S/c1-4-34-29(31)26-23-17-24(30-36(32,33)25-15-14-18(2)16-19(25)3)21-12-8-9-13-22(21)28(23)35-27(26)20-10-6-5-7-11-20/h5-17,30H,4H2,1-3H3
SAAWJTHLBSHRFG-UHFFFAOYSA-N
CSID:1275192, http://www.chemspider.com/Chemical-Structure.1275192.html (accessed 23:01, Aug 2, 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) = 7.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 678.60 (Adapted Stein & Brown method) Melting Pt (deg C): 296.03 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.96E-016 (Modified Grain method) Subcooled liquid VP: 6.23E-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): 2.04e-005 log Kow used: 7.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.9194e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.77E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.921E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.54 (KowWin est) Log Kaw used: -10.140 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.680 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9213 Biowin2 (Non-Linear Model) : 0.9501 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1077 (months ) Biowin4 (Primary Survey Model) : 3.2237 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1908 Biowin6 (MITI Non-Linear Model): 0.0011 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8116 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): 8.31E-011 Pa (6.23E-013 mm Hg) Log Koa (Koawin est ): 17.680 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.61E+004 Octanol/air (Koa) model: 1.17E+005 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 = 18.9787 E-12 cm3/molecule-sec Half-Life = 0.564 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.763 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 : 4.087E+007 Log Koc: 7.611 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.776E-002 L/mol-sec Kb Half-Life at pH 8: 212.462 days Kb Half-Life at pH 7: 5.817 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.072 (BCF = 1.18e+004) log Kow used: 7.54 (estimated) Volatilization from Water: Henry LC: 1.77E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.393E+008 hours (3.081E+007 days) Half-Life from Model Lake : 8.066E+009 hours (3.361E+008 days) Removal In Wastewater Treatment: Total removal: 93.98 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.20 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 0.0704 13.5 1000 Water 1.34 1.44e+003 1000 Soil 34.8 2.88e+003 1000 Sediment 63.7 1.3e+004 0 Persistence Time: 5.16e+003 hr
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