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Trimethylsilyl 1-[(trimethylsilyl)amino]cyclopentanecarboxylate
C[Si](C)(C)NC1(CCCC1)C(=O)O[Si](C)(C)C
InChI=1S/C12H27NO2Si2/c1-16(2,3)13-12(9-7-8-10-12)11(14)15-17(4,5)6/h13H,7-10H2,1-6H3
YNIBXALHNQYWMJ-UHFFFAOYSA-N
CSID:515969, http://www.chemspider.com/Chemical-Structure.515969.html (accessed 14:31, Apr 25, 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) = 4.28 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 269.94 (Adapted Stein & Brown method) Melting Pt (deg C): 61.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00432 (Modified Grain method) Subcooled liquid VP: 0.00948 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): 3.872 log Kow used: 4.28 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 152.88 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 : 4.64E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.016E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.28 (KowWin est) Log Kaw used: -2.722 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.002 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4334 Biowin2 (Non-Linear Model) : 0.0692 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3826 (weeks-months) Biowin4 (Primary Survey Model) : 3.2997 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0474 Biowin6 (MITI Non-Linear Model): 0.0197 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4556 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): 1.26 Pa (0.00948 mm Hg) Log Koa (Koawin est ): 7.002 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.37E-006 Octanol/air (Koa) model: 2.47E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.57E-005 Mackay model : 0.00019 Octanol/air (Koa) model: 0.000197 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.5150 E-12 cm3/molecule-sec Half-Life = 2.369 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.428 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000138 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 409 Log Koc: 2.612 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 = 2.594 (BCF = 393) log Kow used: 4.28 (estimated) Volatilization from Water: Henry LC: 4.64E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 22.56 hours Half-Life from Model Lake : 384.7 hours (16.03 days) Removal In Wastewater Treatment: Total removal: 45.17 percent Total biodegradation: 0.43 percent Total sludge adsorption: 43.42 percent Total to Air: 1.32 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.58 56.9 1000 Water 14 900 1000 Soil 78.1 1.8e+003 1000 Sediment 6.33 8.1e+003 0 Persistence Time: 1.11e+003 hr
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