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2-Methyl-6-(2-methyl-2-propanyl)aniline
Cc1cccc(c1N)C(C)(C)C
InChI=1S/C11H17N/c1-8-6-5-7-9(10(8)12)11(2,3)4/h5-7H,12H2,1-4H3
GWIUAENVORNODL-UHFFFAOYSA-N
CSID:75023, http://www.chemspider.com/Chemical-Structure.75023.html (accessed 07:32, 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) = 3.53 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 259.26 (Adapted Stein & Brown method) Melting Pt (deg C): 57.72 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00821 (Modified Grain method) Subcooled liquid VP: 0.0165 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): 63.58 log Kow used: 3.53 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 176.65 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aromatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.43E-006 atm-m3/mole Group Method: 5.11E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.774E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.53 (KowWin est) Log Kaw used: -3.654 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.184 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3068 Biowin2 (Non-Linear Model) : 0.0861 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4165 (weeks-months) Biowin4 (Primary Survey Model) : 3.2818 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2037 Biowin6 (MITI Non-Linear Model): 0.0920 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6727 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): 2.2 Pa (0.0165 mm Hg) Log Koa (Koawin est ): 7.184 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.36E-006 Octanol/air (Koa) model: 3.75E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.93E-005 Mackay model : 0.000109 Octanol/air (Koa) model: 0.0003 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 158.9448 E-12 cm3/molecule-sec Half-Life = 0.067 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.808 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.92E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 539.4 Log Koc: 2.732 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 = 2.020 (BCF = 104.8) log Kow used: 3.53 (estimated) Volatilization from Water: Henry LC: 5.11E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 147.7 hours (6.154 days) Half-Life from Model Lake : 1718 hours (71.6 days) Removal In Wastewater Treatment: Total removal: 13.96 percent Total biodegradation: 0.19 percent Total sludge adsorption: 13.52 percent Total to Air: 0.25 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0748 1.61 1000 Water 17.8 900 1000 Soil 80.8 1.8e+003 1000 Sediment 1.38 8.1e+003 0 Persistence Time: 1.05e+003 hr
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