Try beta.chemspider
1-[(Trimethylsilyl)methyl]piperidine
C[Si](C)(C)CN1CCCCC1
InChI=1S/C9H21NSi/c1-11(2,3)9-10-7-5-4-6-8-10/h4-9H2,1-3H3
BGDOVVTUNRVOKS-UHFFFAOYSA-N
CSID:123727, http://www.chemspider.com/Chemical-Structure.123727.html (accessed 18:27, May 16, 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) = 3.29 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 183.15 (Adapted Stein & Brown method) Melting Pt (deg C): 1.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.828 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 965 log Kow used: 3.29 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 80.805 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.13E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.935E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.29 (KowWin est) Log Kaw used: -2.335 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.625 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4607 Biowin2 (Non-Linear Model) : 0.1614 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5657 (weeks-months) Biowin4 (Primary Survey Model) : 3.3125 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2668 Biowin6 (MITI Non-Linear Model): 0.1693 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0516 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): 100 Pa (0.753 mm Hg) Log Koa (Koawin est ): 5.625 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.99E-008 Octanol/air (Koa) model: 1.04E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.08E-006 Mackay model : 2.39E-006 Octanol/air (Koa) model: 8.28E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 101.6108 E-12 cm3/molecule-sec Half-Life = 0.105 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.263 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.73E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 893.6 Log Koc: 2.951 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 = 1.830 (BCF = 67.59) log Kow used: 3.29 (estimated) Volatilization from Water: Henry LC: 0.000113 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.118 hours Half-Life from Model Lake : 198.3 hours (8.264 days) Removal In Wastewater Treatment: Total removal: 13.83 percent Total biodegradation: 0.15 percent Total sludge adsorption: 8.67 percent Total to Air: 5.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.174 2.53 1000 Water 14.5 900 1000 Soil 84.7 1.8e+003 1000 Sediment 0.639 8.1e+003 0 Persistence Time: 928 hr
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