2,2'-[Oxybis(2,1-ethanediyloxy-2,1-ethanediyloxy)]diphenol
c1ccc(c(c1)O)OCCOCCOCCOCCOc2ccccc2O
InChI=1S/C20H26O7/c21-17-5-1-3-7-19(17)26-15-13-24-11-9-23-10-12-25-14-16-27-20-8-4-2-6-18(20)22/h1-8,21-22H,9-16H2
VFGLBBOQPBEAPF-UHFFFAOYSA-N
CSID:4046252, http://www.chemspider.com/Chemical-Structure.4046252.html (accessed 13:41, Apr 19, 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): 493.42 (Adapted Stein & Brown method) Melting Pt (deg C): 209.53 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.96E-012 (Modified Grain method) Subcooled liquid VP: 9.05E-010 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): 213.2 log Kow used: 1.51 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3371 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.44E-020 atm-m3/mole Group Method: 1.20E-020 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.326E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.51 (KowWin est) Log Kaw used: -17.517 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.027 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0207 Biowin2 (Non-Linear Model) : 0.0018 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3334 (weeks-months) Biowin4 (Primary Survey Model) : 3.5062 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5707 Biowin6 (MITI Non-Linear Model): 0.3316 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0263 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.21E-007 Pa (9.05E-010 mm Hg) Log Koa (Koawin est ): 19.027 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 24.9 Octanol/air (Koa) model: 2.61E+006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 0.999 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 113.9991 E-12 cm3/molecule-sec Half-Life = 0.094 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.126 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 398.7 Log Koc: 2.601 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 = 0.463 (BCF = 2.906) log Kow used: 1.51 (estimated) Volatilization from Water: Henry LC: 1.2E-020 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 9.491E+016 hours (3.955E+015 days) Half-Life from Model Lake : 1.035E+018 hours (4.314E+016 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 1.86e-010 2.25 1000 Water 32.7 900 1000 Soil 67.2 1.8e+003 1000 Sediment 0.0831 8.1e+003 0 Persistence Time: 1.19e+003 hr
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