N,N-Dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanamine
Cc1ccccc1C(c2ccccc2)OCCN(C)C
InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
QVYRGXJJSLMXQH-UHFFFAOYSA-N
CSID:4440, http://www.chemspider.com/Chemical-Structure.4440.html (accessed 01:47, 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) = 3.65 Log Kow (Exper. database match) = 3.77 Exper. Ref: Sangster (1993) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 356.60 (Adapted Stein & Brown method) Melting Pt (deg C): 109.54 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.2E-005 (Modified Grain method) MP (exp database): < 25 deg C BP (exp database): 195 @ 12 mm Hg deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 113.1 log Kow used: 3.77 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 51.228 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.08E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.883E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.77 (exp database) Log Kaw used: -6.778 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.548 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2494 Biowin2 (Non-Linear Model) : 0.0164 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2875 (weeks-months) Biowin4 (Primary Survey Model) : 3.0977 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0327 Biowin6 (MITI Non-Linear Model): 0.0253 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5826 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): 0.0123 Pa (9.2E-005 mm Hg) Log Koa (Koawin est ): 10.548 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000245 Octanol/air (Koa) model: 0.00867 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00876 Mackay model : 0.0192 Octanol/air (Koa) model: 0.41 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 128.6605 E-12 cm3/molecule-sec Half-Life = 0.083 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.998 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.014 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.363E+004 Log Koc: 4.134 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 = 2.203 (BCF = 159.6) log Kow used: 3.77 (expkow database) Volatilization from Water: Henry LC: 4.08E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.355E+005 hours (9814 days) Half-Life from Model Lake : 2.57E+006 hours (1.071E+005 days) Removal In Wastewater Treatment: Total removal: 20.77 percent Total biodegradation: 0.25 percent Total sludge adsorption: 20.52 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 0.0221 2 1000 Water 12.9 900 1000 Soil 85.4 1.8e+003 1000 Sediment 1.77 8.1e+003 0 Persistence Time: 1.57e+003 hr
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