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Dimethyl(2-methyl-2-propanyl)silyl 6-{[dimethyl(2-methyl-2-propanyl)silyl]amino}hexanoate
CC(C)(C)[Si](C)(C)NCCCCCC(=O)O[Si](C)(C)C(C)(C)C
InChI=1S/C18H41NO2Si2/c1-17(2,3)22(7,8)19-15-13-11-12-14-16(20)21-23(9,10)18(4,5)6/h19H,11-15H2,1-10H3
OQQPRAGOSMGPIN-UHFFFAOYSA-N
CSID:461229, http://www.chemspider.com/Chemical-Structure.461229.html (accessed 13:15, Apr 23, 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) = 7.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 330.68 (Adapted Stein & Brown method) Melting Pt (deg C): 98.25 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.33E-005 (Modified Grain method) Subcooled liquid VP: 0.000377 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): 0.003647 log Kow used: 7.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.11998 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Silanes (alkoxy) Silamines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.89E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.513E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.23 (KowWin est) Log Kaw used: -2.928 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.158 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2084 Biowin2 (Non-Linear Model) : 0.0039 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9800 (months ) Biowin4 (Primary Survey Model) : 3.0219 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0284 Biowin6 (MITI Non-Linear Model): 0.0088 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4981 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): 0.0503 Pa (0.000377 mm Hg) Log Koa (Koawin est ): 10.158 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.97E-005 Octanol/air (Koa) model: 0.00353 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00215 Mackay model : 0.00475 Octanol/air (Koa) model: 0.22 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 16.8814 E-12 cm3/molecule-sec Half-Life = 0.634 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.603 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00345 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.678E+004 Log Koc: 4.670 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 = 4.500 (BCF = 3.161e+004) log Kow used: 7.23 (estimated) Volatilization from Water: Henry LC: 2.89E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 40.36 hours (1.682 days) Half-Life from Model Lake : 599.3 hours (24.97 days) Removal In Wastewater Treatment: Total removal: 93.92 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.14 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.129 15.2 1000 Water 1.5 1.44e+003 1000 Soil 30.1 2.88e+003 1000 Sediment 68.3 1.3e+004 0 Persistence Time: 4.62e+003 hr
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