Try beta.chemspider
2-(3-Methylbutoxy)-5-(5,6,7,8-tetrahydro-1-naphthalenylsulfamoyl)benzamide
CC(C)CCOc1ccc(cc1C(=O)N)S(=O)(=O)Nc2cccc3c2CCCC3
InChI=1S/C22H28N2O4S/c1-15(2)12-13-28-21-11-10-17(14-19(21)22(23)25)29(26,27)24-20-9-5-7-16-6-3-4-8-18(16)20/h5,7,9-11,14-15,24H,3-4,6,8,12-13H2,1-2H3,(H2,23,25)
QMIJWPNUIQNKHX-UHFFFAOYSA-N
CSID:1241968, http://www.chemspider.com/Chemical-Structure.1241968.html (accessed 07:14, Apr 25, 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) = 4.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 597.46 (Adapted Stein & Brown method) Melting Pt (deg C): 258.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.44E-013 (Modified Grain method) Subcooled liquid VP: 8.59E-011 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): 0.8366 log Kow used: 4.05 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.61614 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.87E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.599E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.05 (KowWin est) Log Kaw used: -11.117 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.167 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8913 Biowin2 (Non-Linear Model) : 0.8843 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1663 (months ) Biowin4 (Primary Survey Model) : 3.5293 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0341 Biowin6 (MITI Non-Linear Model): 0.0061 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8137 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): 1.15E-008 Pa (8.59E-011 mm Hg) Log Koa (Koawin est ): 15.167 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 262 Octanol/air (Koa) model: 361 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 = 189.3607 E-12 cm3/molecule-sec Half-Life = 0.056 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.678 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 34.397499 E-17 cm3/molecule-sec Half-Life = 0.033 Days (at 7E11 mol/cm3) Half-Life = 47.976 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 : 7.308E+004 Log Koc: 4.864 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 = 2.420 (BCF = 263.2) log Kow used: 4.05 (estimated) Volatilization from Water: Henry LC: 1.87E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.39E+009 hours (2.662E+008 days) Half-Life from Model Lake : 6.971E+010 hours (2.905E+009 days) Removal In Wastewater Treatment: Total removal: 32.40 percent Total biodegradation: 0.34 percent Total sludge adsorption: 32.06 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 0.00739 0.503 1000 Water 11 1.44e+003 1000 Soil 85.3 2.88e+003 1000 Sediment 3.72 1.3e+004 0 Persistence Time: 2.11e+003 hr
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