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2-({2-[2-(Hexyloxy)ethoxy]ethoxy}methyl)oxirane
CCCCCCOCCOCCOCC1CO1
InChI=1S/C13H26O4/c1-2-3-4-5-6-14-7-8-15-9-10-16-11-13-12-17-13/h13H,2-12H2,1H3
ROILIHABOSVWCY-UHFFFAOYSA-N
CSID:3485066, http://www.chemspider.com/Chemical-Structure.3485066.html (accessed 22:15, May 2, 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) = 1.51 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 300.94 (Adapted Stein & Brown method) Melting Pt (deg C): 68.18 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00134 (Modified Grain method) Subcooled liquid VP: 0.00341 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): 1264 log Kow used: 1.51 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 15429 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.86E-009 atm-m3/mole Group Method: 4.77E-012 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.436E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.51 (KowWin est) Log Kaw used: -7.119 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.629 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.6507 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9184 (weeks ) Biowin4 (Primary Survey Model) : 3.7224 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5119 Biowin6 (MITI Non-Linear Model): 0.3559 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4109 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): 0.455 Pa (0.00341 mm Hg) Log Koa (Koawin est ): 8.629 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.6E-006 Octanol/air (Koa) model: 0.000104 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000238 Mackay model : 0.000528 Octanol/air (Koa) model: 0.00829 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 50.7081 E-12 cm3/molecule-sec Half-Life = 0.211 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.531 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000383 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 3.545E-003 L/mol-sec Ka Half-Life at pH 7: 61.947 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.465 (BCF = 2.92) log Kow used: 1.51 (estimated) Volatilization from Water: Henry LC: 1.86E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.941E+005 hours (2.059E+004 days) Half-Life from Model Lake : 5.39E+006 hours (2.246E+005 days) Removal In Wastewater Treatment: Total removal: 1.98 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.88 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0364 5.06 1000 Water 29.5 360 1000 Soil 70.4 720 1000 Sediment 0.0705 3.24e+003 0 Persistence Time: 627 hr
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