Try beta.chemspider
- 2 of 2 defined stereocentres
{2-[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethoxy}(dimethyl)(2-methyl-2-propanyl)silane
O([Si](C(C)(C)C)(C)C)CCC/1=C/C[C@H]2C[C@@H]\1C2(C)C
InChI=1S/C17H32OSi/c1-16(2,3)19(6,7)18-11-10-13-8-9-14-12-15(13)17(14,4)5/h8,14-15H,9-12H2,1-7H3/t14-,15-/m0/s1
HKKVQXMWWIJGCL-GJZGRUSLSA-N
CSID:9657731, http://www.chemspider.com/Chemical-Structure.9657731.html (accessed 08:23, May 21, 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) = 7.13 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 287.72 (Adapted Stein & Brown method) Melting Pt (deg C): 71.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00136 (Modified Grain method) Subcooled liquid VP: 0.00374 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): 0.01294 log Kow used: 7.13 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.1123 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.30E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.879E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.13 (KowWin est) Log Kaw used: 0.725 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.405 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2461 Biowin2 (Non-Linear Model) : 0.0119 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1550 (months ) Biowin4 (Primary Survey Model) : 3.1361 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1850 Biowin6 (MITI Non-Linear Model): 0.0283 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5721 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): 0.499 Pa (0.00374 mm Hg) Log Koa (Koawin est ): 6.405 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.02E-006 Octanol/air (Koa) model: 6.24E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000217 Mackay model : 0.000481 Octanol/air (Koa) model: 4.99E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 101.6895 E-12 cm3/molecule-sec Half-Life = 0.105 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.262 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec Half-Life = 0.027 Days (at 7E11 mol/cm3) Half-Life = 38.378 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.000349 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.488E+005 Log Koc: 5.173 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 = 4.631 (BCF = 4.271e+004) log Kow used: 7.13 (estimated) Volatilization from Water: Henry LC: 0.13 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.717 hours Half-Life from Model Lake : 159.2 hours (6.632 days) Removal In Wastewater Treatment: Total removal: 94.82 percent Total biodegradation: 0.69 percent Total sludge adsorption: 88.07 percent Total to Air: 6.06 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00591 0.51 1000 Water 1.52 1.44e+003 1000 Soil 31 2.88e+003 1000 Sediment 67.5 1.3e+004 0 Persistence Time: 4.4e+003 hr
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