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2-[2-(Octadecyloxy)ethoxy]ethanol
CCCCCCCCCCCCCCCCCCOCCOCCO
InChI=1S/C22H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h23H,2-22H2,1H3
ILCOCZBHMDEIAI-UHFFFAOYSA-N
CSID:3377544, http://www.chemspider.com/Chemical-Structure.3377544.html (accessed 02:12, Apr 29, 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) = 7.17 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 425.19 (Adapted Stein & Brown method) Melting Pt (deg C): 152.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.69E-009 (Modified Grain method) Subcooled liquid VP: 3.34E-008 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): 0.01345 log Kow used: 7.17 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.022678 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Surfactants-nonionic Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.04E-008 atm-m3/mole Group Method: 5.60E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.929E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.17 (KowWin est) Log Kaw used: -5.483 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.653 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1493 Biowin2 (Non-Linear Model) : 0.0025 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8477 (weeks ) Biowin4 (Primary Survey Model) : 3.7094 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8475 Biowin6 (MITI Non-Linear Model): 0.8810 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6028 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): 4.45E-006 Pa (3.34E-008 mm Hg) Log Koa (Koawin est ): 12.653 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.674 Octanol/air (Koa) model: 1.1 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.961 Mackay model : 0.982 Octanol/air (Koa) model: 0.989 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 57.3117 E-12 cm3/molecule-sec Half-Life = 0.187 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.240 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.971 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1501 Log Koc: 3.176 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 = 3.080 (BCF = 1203) log Kow used: 7.17 (estimated) Volatilization from Water: Henry LC: 5.6E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.98E+005 hours (8250 days) Half-Life from Model Lake : 2.16E+006 hours (9E+004 days) Removal In Wastewater Treatment: Total removal: 93.91 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.13 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 0.124 4.48 1000 Water 3.88 360 1000 Soil 31.9 720 1000 Sediment 64.1 3.24e+003 0 Persistence Time: 1.29e+003 hr
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