- Double-bond stereo
{[(1E)-3-(2,2-Dimethyl-6-methylenecyclohexyl)-1-propen-1-yl]oxy}(dimethyl)(2-methyl-2-propanyl)silane
CC1(CCCC(=C)C1C/C=C/O[Si](C)(C)C(C)(C)C)C
InChI=1S/C18H34OSi/c1-15-11-9-13-18(5,6)16(15)12-10-14-19-20(7,8)17(2,3)4/h10,14,16H,1,9,11-13H2,2-8H3/b14-10+
AOGIIZUFWBNGIN-GXDHUFHOSA-N
CSID:4518428, http://www.chemspider.com/Chemical-Structure.4518428.html (accessed 04:48, 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) = 8.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 303.08 (Adapted Stein & Brown method) Melting Pt (deg C): 75.46 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000551 (Modified Grain method) Subcooled liquid VP: 0.00166 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): 0.001893 log Kow used: 8.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.90918 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.96E+000 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.128E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.01 (KowWin est) Log Kaw used: 1.904 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.106 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2395 Biowin2 (Non-Linear Model) : 0.0098 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1240 (months ) Biowin4 (Primary Survey Model) : 3.1159 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1197 Biowin6 (MITI Non-Linear Model): 0.0195 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9781 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): 0.221 Pa (0.00166 mm Hg) Log Koa (Koawin est ): 6.106 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.36E-005 Octanol/air (Koa) model: 3.13E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000489 Mackay model : 0.00108 Octanol/air (Koa) model: 2.51E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 116.9944 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 124.5944 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.097 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.030 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 1.768750 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 2.337500 E-17 cm3/molecule-sec [Trans-] Half-Life = 15.550 Hrs (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 11.766 Hrs (at 7E11 mol/cm3) [Trans-isomer] Fraction sorbed to airborne particulates (phi): 0.000786 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.48E+005 Log Koc: 5.395 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 = 3.421 (BCF = 2638) log Kow used: 8.01 (estimated) Volatilization from Water: Henry LC: 1.96 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.752 hours Half-Life from Model Lake : 163 hours (6.793 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 95.59 percent Total biodegradation: 0.62 percent Total sludge adsorption: 84.49 percent Total to Air: 10.48 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0203 1.92 1000 Water 1.42 1.44e+003 1000 Soil 29.2 2.88e+003 1000 Sediment 69.4 1.3e+004 0 Persistence Time: 4.6e+003 hr
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