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6-(2,2-Dimethylpropylidene)-4,8-dimethylundecane
CCCC(C)CC(=CC(C)(C)C)CC(C)CCC
InChI=1S/C18H36/c1-8-10-15(3)12-17(14-18(5,6)7)13-16(4)11-9-2/h14-16H,8-13H2,1-7H3
CJEIQDIMJMFUHX-UHFFFAOYSA-N
CSID:280160, http://www.chemspider.com/Chemical-Structure.280160.html (accessed 03:33, Apr 26, 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) = 8.76 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 274.34 (Adapted Stein & Brown method) Melting Pt (deg C): 9.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0125 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.000218 log Kow used: 8.76 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00092133 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.50E+001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.905E+001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.76 (KowWin est) Log Kaw used: 2.788 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.972 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4434 Biowin2 (Non-Linear Model) : 0.0911 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4291 (weeks-months) Biowin4 (Primary Survey Model) : 3.3300 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2328 Biowin6 (MITI Non-Linear Model): 0.1391 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3044 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.4598 BioHC Half-Life (days) : 28.8302 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.73 Pa (0.013 mm Hg) Log Koa (Koawin est ): 5.972 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.73E-006 Octanol/air (Koa) model: 2.3E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.25E-005 Mackay model : 0.000138 Octanol/air (Koa) model: 1.84E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 101.3624 E-12 cm3/molecule-sec Half-Life = 0.106 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.266 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec Half-Life = 0.155 Days (at 7E11 mol/cm3) Half-Life = 3.720 Hrs Fraction sorbed to airborne particulates (phi): 0.0001 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.062E+005 Log Koc: 5.026 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 = 2.393 (BCF = 247.1) log Kow used: 8.76 (estimated) Volatilization from Water: Henry LC: 15 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.622 hours Half-Life from Model Lake : 150.9 hours (6.289 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 95.98 percent Total biodegradation: 0.58 percent Total sludge adsorption: 82.37 percent Total to Air: 13.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0238 1.51 1000 Water 1.92 900 1000 Soil 27.4 1.8e+003 1000 Sediment 70.6 8.1e+003 0 Persistence Time: 3.07e+003 hr
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