Try beta.chemspider
- Double-bond stereo
- 1 of 1 defined stereocentres
(1E,2R)-3-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-N-hydroxy-2-methyl-1-propanimine
C[C@@H](CO[Si](C)(C)C(C)(C)C)/C=N/O
InChI=1S/C10H23NO2Si/c1-9(7-11-12)8-13-14(5,6)10(2,3)4/h7,9,12H,8H2,1-6H3/b11-7+/t9-/m1/s1
CJZZXOCNBGLIHC-MXFUOJGSSA-N
CSID:9991457, http://www.chemspider.com/Chemical-Structure.9991457.html (accessed 17:10, May 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) = 3.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 266.32 (Adapted Stein & Brown method) Melting Pt (deg C): 23.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00112 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 84.23 log Kow used: 3.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1279.9 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 : 5.32E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.803E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.07 (KowWin est) Log Kaw used: -3.663 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.733 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4601 Biowin2 (Non-Linear Model) : 0.1417 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5067 (weeks-months) Biowin4 (Primary Survey Model) : 3.3807 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0836 Biowin6 (MITI Non-Linear Model): 0.0472 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2813 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): 0.152 Pa (0.00114 mm Hg) Log Koa (Koawin est ): 6.733 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.97E-005 Octanol/air (Koa) model: 1.33E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000712 Mackay model : 0.00158 Octanol/air (Koa) model: 0.000106 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 18.7140 E-12 cm3/molecule-sec Half-Life = 0.572 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.859 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00114 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8366 Log Koc: 3.923 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 = 1.667 (BCF = 46.45) log Kow used: 3.07 (estimated) Volatilization from Water: Henry LC: 5.32E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 163.8 hours (6.824 days) Half-Life from Model Lake : 1910 hours (79.59 days) Removal In Wastewater Treatment: Total removal: 6.61 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.19 percent Total to Air: 0.29 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.555 13.7 1000 Water 19 900 1000 Soil 80 1.8e+003 1000 Sediment 0.506 8.1e+003 0 Persistence Time: 1.02e+003 hr
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