Try beta.chemspider
- 3 of 3 defined stereocentres
[(1R,3S,8aR)-3-Isopropenyl-5,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydro-1-naphthalenyl](trimethyl)silane
C\2(=C1/C[C@H](\C(=C)C)C[C@@H]([Si](C)(C)C)[C@@]1(CCC/2)C)C
InChI=1S/C18H32Si/c1-13(2)15-11-16-14(3)9-8-10-18(16,4)17(12-15)19(5,6)7/h15,17H,1,8-12H2,2-7H3/t15-,17+,18+/m0/s1
UUGPMUCLSPQGRU-CGTJXYLNSA-N
CSID:9833872, http://www.chemspider.com/Chemical-Structure.9833872.html (accessed 11:31, 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) = 8.24 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 299.79 (Adapted Stein & Brown method) Melting Pt (deg C): 70.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000741 (Modified Grain method) Subcooled liquid VP: 0.00197 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): 0.001528 log Kow used: 8.24 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00032892 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.45E+000 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.765E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.24 (KowWin est) Log Kaw used: 2.001 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.239 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4320 Biowin2 (Non-Linear Model) : 0.0665 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3759 (weeks-months) Biowin4 (Primary Survey Model) : 3.2953 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0954 Biowin6 (MITI Non-Linear Model): 0.0187 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6438 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): 0.263 Pa (0.00197 mm Hg) Log Koa (Koawin est ): 6.239 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.14E-005 Octanol/air (Koa) model: 4.26E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000412 Mackay model : 0.000913 Octanol/air (Koa) model: 3.4E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 174.9884 E-12 cm3/molecule-sec Half-Life = 0.061 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.733 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 49.259373 E-17 cm3/molecule-sec Half-Life = 0.023 Days (at 7E11 mol/cm3) Half-Life = 33.501 Min Fraction sorbed to airborne particulates (phi): 0.000663 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.69E+005 Log Koc: 5.228 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 = 3.106 (BCF = 1275) log Kow used: 8.24 (estimated) Volatilization from Water: Henry LC: 2.45 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.697 hours Half-Life from Model Lake : 158 hours (6.581 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 95.26 percent Total biodegradation: 0.65 percent Total sludge adsorption: 86.33 percent Total to Air: 8.28 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00642 0.404 1000 Water 1.92 900 1000 Soil 27.8 1.8e+003 1000 Sediment 70.3 8.1e+003 0 Persistence Time: 3.07e+003 hr
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