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Trimethylsilyl 2,6-dioxo-1,3-bis(trimethylsilyl)-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate
C[Si](C)(C)n1c(cc(=O)n(c1=O)[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChI=1S/C14H28N2O4Si3/c1-21(2,3)15-11(13(18)20-23(7,8)9)10-12(17)16(14(15)19)22(4,5)6/h10H,1-9H3
PJFAFZGQQBGVSQ-UHFFFAOYSA-N
CSID:539106, http://www.chemspider.com/Chemical-Structure.539106.html (accessed 04:41, Apr 26, 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) = 4.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 430.30 (Adapted Stein & Brown method) Melting Pt (deg C): 176.78 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.01E-008 (Modified Grain method) Subcooled liquid VP: 1.51E-006 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): 0.4039 log Kow used: 4.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.002299 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Imides Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.23E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.868E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.74 (KowWin est) Log Kaw used: -7.299 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.039 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5701 Biowin2 (Non-Linear Model) : 0.0926 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3757 (weeks-months) Biowin4 (Primary Survey Model) : 3.3101 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3866 Biowin6 (MITI Non-Linear Model): 0.0003 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0464 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): 0.000201 Pa (1.51E-006 mm Hg) Log Koa (Koawin est ): 12.039 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0149 Octanol/air (Koa) model: 0.269 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.35 Mackay model : 0.544 Octanol/air (Koa) model: 0.956 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.7336 E-12 cm3/molecule-sec Half-Life = 1.099 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 13.187 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.447 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 690.7 Log Koc: 2.839 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 = 2.950 (BCF = 891.2) log Kow used: 4.74 (estimated) Volatilization from Water: Henry LC: 1.23E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.189E+005 hours (3.829E+004 days) Half-Life from Model Lake : 1.002E+007 hours (4.177E+005 days) Removal In Wastewater Treatment: Total removal: 67.79 percent Total biodegradation: 0.61 percent Total sludge adsorption: 67.18 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 0.0133 22.6 1000 Water 9.35 900 1000 Soil 78.6 1.8e+003 1000 Sediment 12.1 8.1e+003 0 Persistence Time: 2.06e+003 hr
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