2,2'-[1,3-Phenylenebis(oxy)]diethanol
c1cc(cc(c1)OCCO)OCCO
InChI=1S/C10H14O4/c11-4-6-13-9-2-1-3-10(8-9)14-7-5-12/h1-3,8,11-12H,4-7H2
IAXFZZHBFXRZMT-UHFFFAOYSA-N
CSID:60247, http://www.chemspider.com/Chemical-Structure.60247.html (accessed 08:30, May 28, 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) = 0.61 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 343.86 (Adapted Stein & Brown method) Melting Pt (deg C): 102.86 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.63E-007 (Modified Grain method) Subcooled liquid VP: 3.81E-006 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): 1.336e+004 log Kow used: 0.61 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 37441 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.44E-011 atm-m3/mole Group Method: 8.48E-013 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.294E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.61 (KowWin est) Log Kaw used: -8.741 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.351 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2345 Biowin2 (Non-Linear Model) : 0.9990 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9648 (weeks ) Biowin4 (Primary Survey Model) : 3.9749 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0657 Biowin6 (MITI Non-Linear Model): 0.9748 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.1799 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): 0.000508 Pa (3.81E-006 mm Hg) Log Koa (Koawin est ): 9.351 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00591 Octanol/air (Koa) model: 0.000551 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.176 Mackay model : 0.321 Octanol/air (Koa) model: 0.0422 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 222.3373 E-12 cm3/molecule-sec Half-Life = 0.048 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.577 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.248 (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]: 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: 0.61 (estimated) Volatilization from Water: Henry LC: 4.44E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.857E+007 hours (7.736E+005 days) Half-Life from Model Lake : 2.025E+008 hours (8.439E+006 days) Removal In Wastewater Treatment: Total removal: 1.86 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 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 0.00125 1.15 1000 Water 37 360 1000 Soil 62.9 720 1000 Sediment 0.0704 3.24e+003 0 Persistence Time: 589 hr
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