1-(4-Chlorophenyl)-2-methyl-2-propanamine
CC(C)(Cc1ccc(cc1)Cl)N
InChI=1S/C10H14ClN/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3
ZCKAMNXUHHNZLN-UHFFFAOYSA-N
CSID:9613, http://www.chemspider.com/Chemical-Structure.9613.html (accessed 09:15, Apr 20, 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) = 2.85 Log Kow (Exper. database match) = 2.60 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 252.28 (Adapted Stein & Brown method) Melting Pt (deg C): 50.38 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0132 (Modified Grain method) MP (exp database): 52.5 deg C BP (exp database): 100-102 @ 2 mm Hg deg C Subcooled liquid VP: 0.0237 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): 3239 log Kow used: 2.60 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 646.86 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.06E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.849E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.60 (exp database) Log Kaw used: -4.363 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.963 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5022 Biowin2 (Non-Linear Model) : 0.1609 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3241 (weeks-months) Biowin4 (Primary Survey Model) : 3.2387 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2508 Biowin6 (MITI Non-Linear Model): 0.0768 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3858 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): 3.16 Pa (0.0237 mm Hg) Log Koa (Koawin est ): 6.963 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.49E-007 Octanol/air (Koa) model: 2.25E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.43E-005 Mackay model : 7.59E-005 Octanol/air (Koa) model: 0.00018 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 24.1545 E-12 cm3/molecule-sec Half-Life = 0.443 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.314 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.51E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2564 Log Koc: 3.409 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 = 1.302 (BCF = 20.04) log Kow used: 2.60 (expkow database) Volatilization from Water: Henry LC: 1.06E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 750 hours (31.25 days) Half-Life from Model Lake : 8295 hours (345.6 days) Removal In Wastewater Treatment: Total removal: 3.47 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.31 percent Total to Air: 0.06 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.453 10.6 1000 Water 22 900 1000 Soil 77.3 1.8e+003 1000 Sediment 0.217 8.1e+003 0 Persistence Time: 973 hr
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