2-Methyl-1-phenyl-2-propanamine
CC(C)(Cc1ccccc1)N
InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
DHHVAGZRUROJKS-UHFFFAOYSA-N
CSID:4607, http://www.chemspider.com/Chemical-Structure.4607.html (accessed 05:05, Apr 18, 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) = 2.21 Log Kow (Exper. database match) = 1.90 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 223.11 (Adapted Stein & Brown method) Melting Pt (deg C): 29.01 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.237 (Modified Grain method) BP (exp database): 205 deg C Subcooled liquid VP: 0.258 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): 1.857e+004 log Kow used: 1.90 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2585.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.43E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.506E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.90 (exp database) Log Kaw used: -4.233 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.133 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8292 Biowin2 (Non-Linear Model) : 0.9342 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6289 (weeks-months) Biowin4 (Primary Survey Model) : 3.4586 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3553 Biowin6 (MITI Non-Linear Model): 0.2399 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1392 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): 34.4 Pa (0.258 mm Hg) Log Koa (Koawin est ): 6.133 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.72E-008 Octanol/air (Koa) model: 3.33E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.15E-006 Mackay model : 6.98E-006 Octanol/air (Koa) model: 2.67E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.3284 E-12 cm3/molecule-sec Half-Life = 0.391 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.697 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.06E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1583 Log Koc: 3.200 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 = 0.763 (BCF = 5.794) log Kow used: 1.90 (expkow database) Volatilization from Water: Henry LC: 1.43E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 501.4 hours (20.89 days) Half-Life from Model Lake : 5572 hours (232.2 days) Removal In Wastewater Treatment: Total removal: 2.24 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.07 percent Total to Air: 0.08 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.546 9.39 1000 Water 33 900 1000 Soil 66.3 1.8e+003 1000 Sediment 0.114 8.1e+003 0 Persistence Time: 771 hr
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