Try beta.chemspider
2,2',2'',2'''-Silanetetrayltetraethanol
C(C[Si](CCO)(CCO)CCO)O
InChI=1S/C8H20O4Si/c9-1-5-13(6-2-10,7-3-11)8-4-12/h9-12H,1-8H2
LXFRPUMDYPOXOO-UHFFFAOYSA-N
CSID:27283, http://www.chemspider.com/Chemical-Structure.27283.html (accessed 21:08, Apr 29, 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) = -0.77 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 368.72 (Adapted Stein & Brown method) Melting Pt (deg C): 120.39 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.57E-008 (Modified Grain method) Subcooled liquid VP: 3.15E-007 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): 1.801e+005 log Kow used: -0.77 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.9579e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics 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]: 5.434E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.77 (KowWin est) Log Kaw used: -7.299 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.529 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2833 Biowin2 (Non-Linear Model) : 0.9892 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3787 (days-weeks ) Biowin4 (Primary Survey Model) : 4.0650 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.1322 Biowin6 (MITI Non-Linear Model): 0.9814 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.5751 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 4.2E-005 Pa (3.15E-007 mm Hg) Log Koa (Koawin est ): 6.529 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0714 Octanol/air (Koa) model: 8.3E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.721 Mackay model : 0.851 Octanol/air (Koa) model: 6.64E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.6983 E-12 cm3/molecule-sec Half-Life = 0.493 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.915 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.786 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 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 = 0.500 (BCF = 3.162) log Kow used: -0.77 (estimated) Volatilization from Water: Henry LC: 1.23E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.87E+005 hours (2.863E+004 days) Half-Life from Model Lake : 7.495E+006 hours (3.123E+005 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 0.149 11.8 1000 Water 35 208 1000 Soil 64.8 416 1000 Sediment 0.0606 1.87e+003 0 Persistence Time: 371 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight