Try beta.chemspider
4-Methoxy-3-(2-methyl-2-propanyl)-N-(2,4,4-trimethyl-2-pentanyl)benzenesulfonamide
CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(c(c1)C(C)(C)C)OC
InChI=1S/C19H33NO3S/c1-17(2,3)13-19(7,8)20-24(21,22)14-10-11-16(23-9)15(12-14)18(4,5)6/h10-12,20H,13H2,1-9H3
ULTRPQVOKPOWCC-UHFFFAOYSA-N
CSID:12022023, http://www.chemspider.com/Chemical-Structure.12022023.html (accessed 23:04, Jun 15, 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) = 6.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 418.50 (Adapted Stein & Brown method) Melting Pt (deg C): 167.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.99E-008 (Modified Grain method) Subcooled liquid VP: 2.94E-006 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): 0.03968 log Kow used: 6.04 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.13979 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.03E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.178E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.04 (KowWin est) Log Kaw used: -4.376 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.416 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1584 Biowin2 (Non-Linear Model) : 0.0070 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7190 (recalcitrant) Biowin4 (Primary Survey Model) : 2.9516 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1303 Biowin6 (MITI Non-Linear Model): 0.0140 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9650 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): 0.000392 Pa (2.94E-006 mm Hg) Log Koa (Koawin est ): 10.416 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00765 Octanol/air (Koa) model: 0.0064 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.217 Mackay model : 0.38 Octanol/air (Koa) model: 0.339 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.0963 E-12 cm3/molecule-sec Half-Life = 1.176 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 14.110 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.298 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.785E+004 Log Koc: 4.578 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 = 3.952 (BCF = 8962) log Kow used: 6.04 (estimated) Volatilization from Water: Henry LC: 1.03E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1074 hours (44.74 days) Half-Life from Model Lake : 1.187E+004 hours (494.7 days) Removal In Wastewater Treatment: Total removal: 92.32 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.55 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 0.0759 28.2 1000 Water 1.43 4.32e+003 1000 Soil 50.4 8.64e+003 1000 Sediment 48.1 3.89e+004 0 Persistence Time: 9.86e+003 hr
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