Dimethyl(2-methyl-2-propanyl)silyl N~2~,N~6~-bis[dimethyl(2-methyl-2-propanyl)silyl]lysinate
CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C
InChI=1S/C24H56N2O2Si3/c1-22(2,3)29(10,11)25-19-17-16-18-20(26-30(12,13)23(4,5)6)21(27)28-31(14,15)24(7,8)9/h20,25-26H,16-19H2,1-15H3
SDIUPMDEJJISFY-UHFFFAOYSA-N
CSID:481274, http://www.chemspider.com/Chemical-Structure.481274.html (accessed 15:31, Mar 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) = 8.90 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 395.82 (Adapted Stein & Brown method) Melting Pt (deg C): 138.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.61E-007 (Modified Grain method) Subcooled liquid VP: 1.05E-005 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): 2.092e-005 log Kow used: 8.90 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00061369 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 : 6.96E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.340E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.90 (KowWin est) Log Kaw used: -4.546 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.446 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0370 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.4822 (recalcitrant) Biowin4 (Primary Survey Model) : 2.6819 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3866 Biowin6 (MITI Non-Linear Model): 0.0002 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4221 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): 0.0014 Pa (1.05E-005 mm Hg) Log Koa (Koawin est ): 13.446 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00214 Octanol/air (Koa) model: 6.85 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0718 Mackay model : 0.146 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 24.2057 E-12 cm3/molecule-sec Half-Life = 0.442 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.303 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.109 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.111E+006 Log Koc: 6.324 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 = 2.200 (BCF = 158.5) log Kow used: 8.90 (estimated) Volatilization from Water: Henry LC: 6.96E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1862 hours (77.6 days) Half-Life from Model Lake : 2.05E+004 hours (854.3 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 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 0.0372 10.6 1000 Water 0.738 4.32e+003 1000 Soil 40.4 8.64e+003 1000 Sediment 58.9 3.89e+004 0 Persistence Time: 1.1e+004 hr
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