2-{2-[2-(Hexadecyloxy)ethoxy]ethoxy}ethanol
CCCCCCCCCCCCCCCCOCCOCCOCCO
InChI=1S/C22H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24-19-21-26-22-20-25-18-16-23/h23H,2-22H2,1H3
FSVRFCBLVIJHQY-UHFFFAOYSA-N
CSID:3829424, http://www.chemspider.com/Chemical-Structure.3829424.html (accessed 20:08, Jun 1, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 5.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 437.24 (Adapted Stein & Brown method) Melting Pt (deg C): 158.45 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.29E-010 (Modified Grain method) Subcooled liquid VP: 1.46E-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): 0.1272 log Kow used: 5.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.44581 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Surfactants-nonionic Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.09E-010 atm-m3/mole Group Method: 6.00E-012 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.437E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.91 (KowWin est) Log Kaw used: -7.538 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.448 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2057 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8036 (weeks ) Biowin4 (Primary Survey Model) : 3.6766 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8014 Biowin6 (MITI Non-Linear Model): 0.8073 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3456 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): 1.95E-006 Pa (1.46E-008 mm Hg) Log Koa (Koawin est ): 13.448 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.54 Octanol/air (Koa) model: 6.89 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.982 Mackay model : 0.992 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 68.5012 E-12 cm3/molecule-sec Half-Life = 0.156 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.874 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.987 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 150.6 Log Koc: 2.178 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 = 2.851 (BCF = 710.3) log Kow used: 5.91 (estimated) Volatilization from Water: Henry LC: 6E-012 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.889E+008 hours (7.869E+006 days) Half-Life from Model Lake : 2.06E+009 hours (8.585E+007 days) Removal In Wastewater Treatment: Total removal: 91.73 percent Total biodegradation: 0.77 percent Total sludge adsorption: 90.96 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 0.00435 3.75 1000 Water 6.57 360 1000 Soil 51.4 720 1000 Sediment 42 3.24e+003 0 Persistence Time: 1.26e+003 hr
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