Try beta.chemspider
- 2 of 2 defined stereocentres
(4R,5S)-4,5-Di(2-furyl)-2,2,7,7-tetramethyl-3,6-dioxa-2,7-disilaoctane
C[Si](C)(C)O[C@H](c1ccco1)[C@H](c2ccco2)O[Si](C)(C)C
InChI=1S/C16H26O4Si2/c1-21(2,3)19-15(13-9-7-11-17-13)16(20-22(4,5)6)14-10-8-12-18-14/h7-12,15-16H,1-6H3/t15-,16+
CFFMBJZRROKNBO-IYBDPMFKSA-N
CSID:9984583, http://www.chemspider.com/Chemical-Structure.9984583.html (accessed 02:20, May 6, 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) = 5.35 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 327.83 (Adapted Stein & Brown method) Melting Pt (deg C): 92.06 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.91E-005 (Modified Grain method) Subcooled liquid VP: 0.00044 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): 0.196 log Kow used: 5.35 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 959 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.06E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.252E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.35 (KowWin est) Log Kaw used: -2.903 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.253 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5864 Biowin2 (Non-Linear Model) : 0.1420 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4510 (weeks-months) Biowin4 (Primary Survey Model) : 3.3593 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2628 Biowin6 (MITI Non-Linear Model): 0.0028 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1478 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): 0.0587 Pa (0.00044 mm Hg) Log Koa (Koawin est ): 8.253 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.11E-005 Octanol/air (Koa) model: 4.4E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00184 Mackay model : 0.00407 Octanol/air (Koa) model: 0.0035 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 222.1790 E-12 cm3/molecule-sec Half-Life = 0.048 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.578 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.00296 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.056E+006 Log Koc: 6.024 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 = 3.419 (BCF = 2626) log Kow used: 5.35 (estimated) Volatilization from Water: Henry LC: 3.06E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 37.08 hours (1.545 days) Half-Life from Model Lake : 558.8 hours (23.28 days) Removal In Wastewater Treatment: Total removal: 86.11 percent Total biodegradation: 0.73 percent Total sludge adsorption: 85.24 percent Total to Air: 0.14 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0367 1.16 1000 Water 8.14 900 1000 Soil 53.1 1.8e+003 1000 Sediment 38.8 8.1e+003 0 Persistence Time: 1.63e+003 hr
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