N,N-Dimethyl-2-[4-(trimethylsilyl)phenyl]ethanamine
CN(C)CCc1ccc(cc1)[Si](C)(C)C
InChI=1S/C13H23NSi/c1-14(2)11-10-12-6-8-13(9-7-12)15(3,4)5/h6-9H,10-11H2,1-5H3
GFMIVLRIQDIUPY-UHFFFAOYSA-N
CSID:174997, http://www.chemspider.com/Chemical-Structure.174997.html (accessed 01:38, Mar 29, 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) = 4.34 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 263.98 (Adapted Stein & Brown method) Melting Pt (deg C): 41.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00918 (Modified Grain method) Subcooled liquid VP: 0.0129 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): 68.18 log Kow used: 4.34 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 285.1 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.90E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.923E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.34 (KowWin est) Log Kaw used: -3.393 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.733 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4915 Biowin2 (Non-Linear Model) : 0.1441 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3802 (weeks-months) Biowin4 (Primary Survey Model) : 3.1718 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0028 Biowin6 (MITI Non-Linear Model): 0.0214 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1141 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): 1.72 Pa (0.0129 mm Hg) Log Koa (Koawin est ): 7.733 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.74E-006 Octanol/air (Koa) model: 1.33E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.3E-005 Mackay model : 0.00014 Octanol/air (Koa) model: 0.00106 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 85.6563 E-12 cm3/molecule-sec Half-Life = 0.125 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.498 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000101 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8240 Log Koc: 3.916 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 = 2.639 (BCF = 435.8) log Kow used: 4.34 (estimated) Volatilization from Water: Henry LC: 9.9E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 89.52 hours (3.73 days) Half-Life from Model Lake : 1101 hours (45.89 days) Removal In Wastewater Treatment: Total removal: 47.63 percent Total biodegradation: 0.45 percent Total sludge adsorption: 46.89 percent Total to Air: 0.28 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.128 3 1000 Water 15.4 900 1000 Soil 76.4 1.8e+003 1000 Sediment 8.03 8.1e+003 0 Persistence Time: 1.13e+003 hr
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