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2,2-Dimesityl-6,6-dimethylhexahydro-2H-cyclopenta[d][1,2]oxasilole
O1C4C(C[Si]1(c2c(cc(cc2C)C)C)c3c(cc(cc3C)C)C)CCC4(C)C
InChI=1S/C26H36OSi/c1-16-11-18(3)23(19(4)12-16)28(24-20(5)13-17(2)14-21(24)6)15-22-9-10-26(7,8)25(22)27-28/h11-14,22,25H,9-10,15H2,1-8H3
SCOGZUKAUFYLLA-UHFFFAOYSA-N
CSID:9080532, http://www.chemspider.com/Chemical-Structure.9080532.html (accessed 05:57, 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) = 9.68 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 436.30 (Adapted Stein & Brown method) Melting Pt (deg C): 182.84 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.43E-008 (Modified Grain method) Subcooled liquid VP: 1.07E-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): 1.838e-005 log Kow used: 9.68 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.000181 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.18E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.831E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.68 (KowWin est) Log Kaw used: -2.317 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.997 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7047 Biowin2 (Non-Linear Model) : 0.3041 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6702 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7166 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0219 Biowin6 (MITI Non-Linear Model): 0.0037 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.5508 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): 0.000143 Pa (1.07E-006 mm Hg) Log Koa (Koawin est ): 11.997 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.021 Octanol/air (Koa) model: 0.244 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.432 Mackay model : 0.627 Octanol/air (Koa) model: 0.951 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 81.9626 E-12 cm3/molecule-sec Half-Life = 0.130 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.566 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.529 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.642E+007 Log Koc: 7.561 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 = 1.138 (BCF = 13.74) log Kow used: 9.68 (estimated) Volatilization from Water: Henry LC: 0.000118 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 11.85 hours Half-Life from Model Lake : 295.5 hours (12.31 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.0124 3.13 1000 Water 0.738 4.32e+003 1000 Soil 40.3 8.64e+003 1000 Sediment 59 3.89e+004 0 Persistence Time: 1.09e+004 hr
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