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N-(2-Furylmethyl)-2-methyl-N-{2-[(triethylsilyl)oxy]ethyl}-1-propanamine
O(CCN(Cc1occc1)CC(C)C)[Si](CC)(CC)CC
InChI=1S/C17H33NO2Si/c1-6-21(7-2,8-3)20-13-11-18(14-16(4)5)15-17-10-9-12-19-17/h9-10,12,16H,6-8,11,13-15H2,1-5H3
CROZMKKWEVULLK-UHFFFAOYSA-N
CSID:9510872, http://www.chemspider.com/Chemical-Structure.9510872.html (accessed 03:09, Jul 4, 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) = 5.49 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 332.75 (Adapted Stein & Brown method) Melting Pt (deg C): 96.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.9E-005 (Modified Grain method) Subcooled liquid VP: 0.000337 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): 2.195 log Kow used: 5.49 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 80.699 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.70E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.289E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.49 (KowWin est) Log Kaw used: -3.716 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.206 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3940 Biowin2 (Non-Linear Model) : 0.0256 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2559 (weeks-months) Biowin4 (Primary Survey Model) : 3.1103 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0827 Biowin6 (MITI Non-Linear Model): 0.0110 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9402 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): 0.0449 Pa (0.000337 mm Hg) Log Koa (Koawin est ): 9.206 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.68E-005 Octanol/air (Koa) model: 0.000394 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00241 Mackay model : 0.00531 Octanol/air (Koa) model: 0.0306 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 229.7209 E-12 cm3/molecule-sec Half-Life = 0.047 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.559 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.00386 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.922E+005 Log Koc: 5.594 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 = 3.527 (BCF = 3364) log Kow used: 5.49 (estimated) Volatilization from Water: Henry LC: 4.7E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 221.7 hours (9.236 days) Half-Life from Model Lake : 2566 hours (106.9 days) Removal In Wastewater Treatment: Total removal: 88.16 percent Total biodegradation: 0.74 percent Total sludge adsorption: 87.40 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.029 1.12 1000 Water 7.31 900 1000 Soil 46.9 1.8e+003 1000 Sediment 45.8 8.1e+003 0 Persistence Time: 1.85e+003 hr
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