Try beta.chemspider
- Double-bond stereo
(2E,2'E)-3,3'-(1,1,3,3-Tetramethyl-1,3-disiloxanediyl)bis(2-propen-1-ol)
C[Si](O[Si](/C=C/CO)(C)C)(/C=C/CO)C
InChI=1S/C10H22O3Si2/c1-14(2,9-5-7-11)13-15(3,4)10-6-8-12/h5-6,9-12H,7-8H2,1-4H3/b9-5+,10-6+
JUPVFWSGDGLOIF-NXZHAISVSA-N
CSID:19723187, http://www.chemspider.com/Chemical-Structure.19723187.html (accessed 14:14, Jun 14, 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) = 3.77 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 317.81 (Adapted Stein & Brown method) Melting Pt (deg C): 66.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.13E-006 (Modified Grain method) Subcooled liquid VP: 2.23E-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): 2.474 log Kow used: 3.77 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 42.258 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.01E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.197E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.77 (KowWin est) Log Kaw used: -4.384 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.154 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9477 Biowin2 (Non-Linear Model) : 0.8513 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9745 (weeks ) Biowin4 (Primary Survey Model) : 3.7511 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4264 Biowin6 (MITI Non-Linear Model): 0.1780 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5412 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): 0.00297 Pa (2.23E-005 mm Hg) Log Koa (Koawin est ): 8.154 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00101 Octanol/air (Koa) model: 3.5E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0352 Mackay model : 0.0747 Octanol/air (Koa) model: 0.00279 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 120.2164 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 135.4164 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.068 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 0.948 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 2.275000 E-17 cm3/molecule-sec [Trans-] Half-Life = 1.007 Days (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 12.090 Hrs (at 7E11 mol/cm3) [Trans-isomer] Fraction sorbed to airborne particulates (phi): 0.0549 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 16.43 Log Koc: 1.216 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 = 2.205 (BCF = 160.4) log Kow used: 3.77 (estimated) Volatilization from Water: Henry LC: 1.01E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 911.7 hours (37.99 days) Half-Life from Model Lake : 1.008E+004 hours (419.9 days) Removal In Wastewater Treatment: Total removal: 20.81 percent Total biodegradation: 0.25 percent Total sludge adsorption: 20.51 percent Total to Air: 0.05 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.194 1.96 1000 Water 24.1 360 1000 Soil 73.8 720 1000 Sediment 1.88 3.24e+003 0 Persistence Time: 471 hr
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