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- Double-bond stereo
(6E,10E)-2,6,10,14-Tetramethyl-2,6,10-nonadecatriene
CCCCCC(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
InChI=1S/C23H42/c1-7-8-9-14-21(4)16-11-18-23(6)19-12-17-22(5)15-10-13-20(2)3/h13,17-18,21H,7-12,14-16,19H2,1-6H3/b22-17+,23-18+
FCVJGQFEJQETCV-SKWBHROBSA-N
CSID:4517949, http://www.chemspider.com/Chemical-Structure.4517949.html (accessed 01:11, Jul 7, 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) = 11.09 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 363.46 (Adapted Stein & Brown method) Melting Pt (deg C): 19.50 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000136 (Modified Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 9.435e-007 log Kow used: 11.09 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.4765e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.20E+001 atm-m3/mole Group Method: 1.25E+001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.042E+001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 11.09 (KowWin est) Log Kaw used: 3.235 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.855 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7043 Biowin2 (Non-Linear Model) : 0.5814 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7935 (weeks ) Biowin4 (Primary Survey Model) : 3.6572 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2289 Biowin6 (MITI Non-Linear Model): 0.0933 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0856 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.8436 BioHC Half-Life (days) : 6.9753 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0181 Pa (0.000136 mm Hg) Log Koa (Koawin est ): 7.855 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000165 Octanol/air (Koa) model: 1.76E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00594 Mackay model : 0.0131 Octanol/air (Koa) model: 0.0014 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 277.0587 E-12 cm3/molecule-sec Half-Life = 0.039 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 27.796 Min Ozone Reaction: OVERALL Ozone Rate Constant = 129.000000 E-17 cm3/molecule-sec Half-Life = 0.009 Days (at 7E11 mol/cm3) Half-Life = 12.793 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.0095 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.796E+006 Log Koc: 6.447 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: 11.09 (estimated) Volatilization from Water: Henry LC: 12.5 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.821 hours Half-Life from Model Lake : 169.5 hours (7.064 days) Removal In Wastewater Treatment: Total removal: 94.05 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.19 percent Total to Air: 0.08 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00672 0.173 1000 Water 3.75 360 1000 Soil 28 720 1000 Sediment 68.3 3.24e+003 0 Persistence Time: 1.24e+003 hr
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