Try beta.chemspider
- 1 of 1 defined stereocentres
6-[(2S)-3,3-Dimethyl-2-butanyl]-1,3-diisopropyl-4,4,8,8-tetramethyltetrahydrodicyclopenta[b,e][1,4]disiline-1,2,3,3a,4a,5,6,7,7a,8a(1H,4H,5H,8H)-decayl
CC(C)[C]1[CH][C]([C]2[C]1[Si]([C]3[CH][C]([CH][C]3[Si]2(C)C)C(C)C(C)(C)C)(C)C)C(C)C
InChI=1S/C26H42Si2/c1-16(2)20-15-21(17(3)4)25-24(20)27(9,10)22-13-19(18(5)26(6,7)8)14-23(22)28(25,11)12/h13-18H,1-12H3/t18-/m0/s1
ULIBSTUZBXQYLX-SFHVURJKSA-N
CSID:9390337, http://www.chemspider.com/Chemical-Structure.9390337.html (accessed 12:10, Jun 5, 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 11.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 348.13 (Adapted Stein & Brown method) Melting Pt (deg C): 118.01 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.75E-005 (Modified Grain method) Subcooled liquid VP: 0.000146 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): 2.199e-007 log Kow used: 11.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.2088e-007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.24E+001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.407E+001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 11.73 (KowWin est) Log Kaw used: 2.705 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.025 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3632 Biowin2 (Non-Linear Model) : 0.0091 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0570 (months ) Biowin4 (Primary Survey Model) : 3.0871 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4731 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0344 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): 0.0195 Pa (0.000146 mm Hg) Log Koa (Koawin est ): 9.025 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000154 Octanol/air (Koa) model: 0.00026 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00554 Mackay model : 0.0122 Octanol/air (Koa) model: 0.0204 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.5535 E-12 cm3/molecule-sec Half-Life = 0.388 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.658 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00886 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.138E+007 Log Koc: 7.330 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: 11.73 (estimated) Volatilization from Water: Henry LC: 12.4 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.094 hours Half-Life from Model Lake : 194.9 hours (8.119 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.24 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0842 9.32 1000 Water 1.39 1.44e+003 1000 Soil 29.6 2.88e+003 1000 Sediment 68.9 1.3e+004 0 Persistence Time: 4.68e+003 hr
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