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- Double-bond stereo
(1E)-N-(2-Methyl-2-propanyl)-2-(trimethylsilyl)ethanimine
CC(C)(C)/N=C/C[Si](C)(C)C
InChI=1S/C9H21NSi/c1-9(2,3)10-7-8-11(4,5)6/h7H,8H2,1-6H3/b10-7+
FBKXKUUGFCDLGG-JXMROGBWSA-N
CSID:2015357, http://www.chemspider.com/Chemical-Structure.2015357.html (accessed 19:54, 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) = 3.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 152.11 (Adapted Stein & Brown method) Melting Pt (deg C): -49.53 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.63 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 39.36 log Kow used: 3.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.33698 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.52E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.079E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.73 (KowWin est) Log Kaw used: 0.267 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.463 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4820 Biowin2 (Non-Linear Model) : 0.2409 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6084 (weeks-months) Biowin4 (Primary Survey Model) : 3.4471 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2712 Biowin6 (MITI Non-Linear Model): 0.1714 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1154 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): 443 Pa (3.32 mm Hg) Log Koa (Koawin est ): 3.463 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.78E-009 Octanol/air (Koa) model: 7.13E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.45E-007 Mackay model : 5.42E-007 Octanol/air (Koa) model: 5.7E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.6005 E-12 cm3/molecule-sec Half-Life = 2.325 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 27.899 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.93E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1338 Log Koc: 3.126 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 = 2.174 (BCF = 149.2) log Kow used: 3.73 (estimated) Volatilization from Water: Henry LC: 0.0452 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.353 hours Half-Life from Model Lake : 124.5 hours (5.188 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 95.05 percent Total biodegradation: 0.06 percent Total sludge adsorption: 11.21 percent Total to Air: 83.79 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 17.4 55.8 1000 Water 36.9 900 1000 Soil 41.1 1.8e+003 1000 Sediment 4.61 8.1e+003 0 Persistence Time: 212 hr
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