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3-[Dimethyl(phenyl)silyl]-N,N-diethyl-2-methyl-1-propanamine
c1ccccc1[Si](C)(C)CC(C)CN(CC)CC
InChI=1S/C16H29NSi/c1-6-17(7-2)13-15(3)14-18(4,5)16-11-9-8-10-12-16/h8-12,15H,6-7,13-14H2,1-5H3
HHQWNJXORCLJRL-UHFFFAOYSA-N
CSID:9532448, http://www.chemspider.com/Chemical-Structure.9532448.html (accessed 17:36, Apr 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) = 5.90 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 301.55 (Adapted Stein & Brown method) Melting Pt (deg C): 55.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000938 (Modified Grain method) Subcooled liquid VP: 0.0018 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): 1.842 log Kow used: 5.90 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13.555 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.78E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.766E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.90 (KowWin est) Log Kaw used: -2.944 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.844 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5449 Biowin2 (Non-Linear Model) : 0.2392 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3841 (weeks-months) Biowin4 (Primary Survey Model) : 3.1845 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0335 Biowin6 (MITI Non-Linear Model): 0.0265 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9575 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): 0.24 Pa (0.0018 mm Hg) Log Koa (Koawin est ): 8.844 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.25E-005 Octanol/air (Koa) model: 0.000171 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000451 Mackay model : 0.000999 Octanol/air (Koa) model: 0.0135 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 101.0060 E-12 cm3/molecule-sec Half-Life = 0.106 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.271 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000725 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.834E+004 Log Koc: 4.766 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 = 3.845 (BCF = 7003) log Kow used: 5.90 (estimated) Volatilization from Water: Henry LC: 2.78E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 35.84 hours (1.493 days) Half-Life from Model Lake : 527.1 hours (21.96 days) Removal In Wastewater Treatment: Total removal: 91.68 percent Total biodegradation: 0.77 percent Total sludge adsorption: 90.88 percent Total to Air: 0.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0546 2.54 1000 Water 4.5 900 1000 Soil 38.2 1.8e+003 1000 Sediment 57.2 8.1e+003 0 Persistence Time: 2.26e+003 hr
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