4-Methoxy-N,N-dipropylbenzenesulfonamide
CCCN(CCC)S(=O)(=O)c1ccc(cc1)OC
InChI=1S/C13H21NO3S/c1-4-10-14(11-5-2)18(15,16)13-8-6-12(17-3)7-9-13/h6-9H,4-5,10-11H2,1-3H3
DVCUIDDJBLKLQW-UHFFFAOYSA-N
CSID:698895, http://www.chemspider.com/Chemical-Structure.698895.html (accessed 06:18, Apr 19, 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) = 3.09 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 373.25 (Adapted Stein & Brown method) Melting Pt (deg C): 129.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.28E-006 (Modified Grain method) Subcooled liquid VP: 3.68E-005 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): 41 log Kow used: 3.09 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 12.867 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.74E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.857E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.09 (KowWin est) Log Kaw used: -4.816 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.906 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7503 Biowin2 (Non-Linear Model) : 0.8027 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5413 (weeks-months) Biowin4 (Primary Survey Model) : 3.5333 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3318 Biowin6 (MITI Non-Linear Model): 0.1507 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4976 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): 0.00491 Pa (3.68E-005 mm Hg) Log Koa (Koawin est ): 7.906 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000611 Octanol/air (Koa) model: 1.98E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0216 Mackay model : 0.0466 Octanol/air (Koa) model: 0.00158 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 29.4273 E-12 cm3/molecule-sec Half-Life = 0.363 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.362 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0341 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2407 Log Koc: 3.382 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 = 1.681 (BCF = 48.02) log Kow used: 3.09 (estimated) Volatilization from Water: Henry LC: 3.74E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2581 hours (107.5 days) Half-Life from Model Lake : 2.829E+004 hours (1179 days) Removal In Wastewater Treatment: Total removal: 6.55 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.40 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.319 8.72 1000 Water 18.5 900 1000 Soil 80.7 1.8e+003 1000 Sediment 0.515 8.1e+003 0 Persistence Time: 1.08e+003 hr
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