Dodecamethylcyclohexasiloxane
C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C
InChI=1S/C12H36O6Si6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h1-12H3
IUMSDRXLFWAGNT-UHFFFAOYSA-N
CSID:10449, http://www.chemspider.com/Chemical-Structure.10449.html (accessed 01:05, Apr 20, 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) = 6.33 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 226.77 (Adapted Stein & Brown method) Melting Pt (deg C): -8.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0355 (Mean VP of Antoine & Grain methods) MP (exp database): -3 deg C BP (exp database): 245 deg C VP (exp database): 2.25E-02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.005007 log Kow used: 6.33 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0020761 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.65E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.151E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.33 (KowWin est) Log Kaw used: 0.829 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.501 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5357 Biowin2 (Non-Linear Model) : 0.0353 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2159 (months ) Biowin4 (Primary Survey Model) : 3.2058 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.6066 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1188 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): 3 Pa (0.0225 mm Hg) Log Koa (Koawin est ): 5.501 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1E-006 Octanol/air (Koa) model: 7.78E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.61E-005 Mackay model : 8E-005 Octanol/air (Koa) model: 6.22E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.7952 E-12 cm3/molecule-sec Half-Life = 5.958 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 71.497 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.81E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.174E+006 Log Koc: 6.070 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 = 4.173 (BCF = 1.489e+004) log Kow used: 6.33 (estimated) Volatilization from Water: Henry LC: 0.165 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.16 hours Half-Life from Model Lake : 200.4 hours (8.351 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 97.15 percent Total biodegradation: 0.42 percent Total sludge adsorption: 73.01 percent Total to Air: 23.71 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.881 143 1000 Water 2.11 1.44e+003 1000 Soil 35.9 2.88e+003 1000 Sediment 61.1 1.3e+004 0 Persistence Time: 3.41e+003 hr
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