(Undecyloxy)cyclohexane
O(CCCCCCCCCCC)C1CCCCC1 CopyCopied
InChI=1S/C17H34O/c1-2-3-4-5-6-7-8-9-13-16-18-17-14-11-10-12-15-17/h17H,2-16H2,1H3 CopyCopied
XUWKINRQANNXIK-UHFFFAOYSA-N CopyCopied
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 7.25 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 314.12 (Adapted Stein & Brown method) Melting Pt (deg C): 45.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00113 (Modified Grain method) Subcooled liquid VP: 0.00175 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): 0.01444 log Kow used: 7.25 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.11357 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.66E-002 atm-m3/mole Group Method: 1.54E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.620E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.25 (KowWin est) Log Kaw used: 0.036 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.214 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3875 Biowin2 (Non-Linear Model) : 0.1006 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9265 (weeks ) Biowin4 (Primary Survey Model) : 3.7399 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5622 Biowin6 (MITI Non-Linear Model): 0.6083 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1192 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.233 Pa (0.00175 mm Hg) Log Koa (Koawin est ): 7.214 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.29E-005 Octanol/air (Koa) model: 4.02E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000464 Mackay model : 0.00103 Octanol/air (Koa) model: 0.000321 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 47.2050 E-12 cm3/molecule-sec Half-Life = 0.227 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.719 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000746 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.283E+004 Log Koc: 4.108 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 = 2.971 (BCF = 934.9) log Kow used: 7.25 (estimated) Volatilization from Water: Henry LC: 0.0154 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.688 hours Half-Life from Model Lake : 152.2 hours (6.341 days) Removal In Wastewater Treatment: Total removal: 94.02 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.62 percent Total to Air: 0.64 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.209 5.44 1000 Water 3.97 360 1000 Soil 29.1 720 1000 Sediment 66.7 3.24e+003 0 Persistence Time: 1.19e+003 hr
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