Try beta.chemspider
Trimethylsilyl 3-{bis[(trimethylsilyl)oxy]phosphoryl}-N-(trimethylsilyl)alaninate
C[Si](C)(C)NC(CP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChI=1S/C15H40NO5PSi4/c1-23(2,3)16-14(15(17)19-24(4,5)6)13-22(18,20-25(7,8)9)21-26(10,11)12/h14,16H,13H2,1-12H3
NHEFETNJXAVLCU-UHFFFAOYSA-N
CSID:540954, http://www.chemspider.com/Chemical-Structure.540954.html (accessed 19:01, 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) = 5.09 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 366.61 (Adapted Stein & Brown method) Melting Pt (deg C): 87.70 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.33E-005 (Modified Grain method) Subcooled liquid VP: 5.31E-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): 0.06025 log Kow used: 5.09 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6684.3 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 : 2.69E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.330E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.09 (KowWin est) Log Kaw used: -4.959 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.049 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5296 Biowin2 (Non-Linear Model) : 0.0295 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1875 (months ) Biowin4 (Primary Survey Model) : 3.1872 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.6462 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2586 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): 0.00708 Pa (5.31E-005 mm Hg) Log Koa (Koawin est ): 10.049 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000424 Octanol/air (Koa) model: 0.00275 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0151 Mackay model : 0.0328 Octanol/air (Koa) model: 0.18 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.8234 E-12 cm3/molecule-sec Half-Life = 1.089 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 13.066 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0239 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.807E+004 Log Koc: 4.833 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 = 3.217 (BCF = 1647) log Kow used: 5.09 (estimated) Volatilization from Water: Henry LC: 2.69E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4659 hours (194.1 days) Half-Life from Model Lake : 5.101E+004 hours (2125 days) Removal In Wastewater Treatment: Total removal: 80.36 percent Total biodegradation: 0.70 percent Total sludge adsorption: 79.66 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 0.274 26.1 1000 Water 7.58 1.44e+003 1000 Soil 64 2.88e+003 1000 Sediment 28.1 1.3e+004 0 Persistence Time: 2.58e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight