1,1'-Oxydibenzene
c1ccc(cc1)Oc2ccccc2
InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
USIUVYZYUHIAEV-UHFFFAOYSA-N
CSID:7302, http://www.chemspider.com/Chemical-Structure.7302.html (accessed 11:10, Jun 5, 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) = 4.05 Log Kow (Exper. database match) = 4.21 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 269.66 (Adapted Stein & Brown method) Melting Pt (deg C): 35.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.017 (Modified Grain method) MP (exp database): 26.8 deg C BP (exp database): 258 deg C VP (exp database): 2.25E-02 mm Hg at 25 deg C Subcooled liquid VP: 0.0234 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 15.58 log Kow used: 4.21 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 18 mg/L (25 deg C) Exper. Ref: BANERJEE,S ET AL. (1980) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 22.894 mg/L Wat Sol (Exper. database match) = 18.00 Exper. Ref: BANERJEE,S ET AL. (1980) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.18E-004 atm-m3/mole Group Method: 2.81E-004 atm-m3/mole Exper Database: 2.79E-04 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.444E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.21 (exp database) Log Kaw used: -1.943 (exp database) Log Koa (KOAWIN v1.10 estimate): 6.153 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0546 Biowin2 (Non-Linear Model) : 0.9984 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8089 (weeks ) Biowin4 (Primary Survey Model) : 3.6891 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4832 Biowin6 (MITI Non-Linear Model): 0.5339 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4962 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): 3.12 Pa (0.0234 mm Hg) Log Koa (Koawin est ): 6.153 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.62E-007 Octanol/air (Koa) model: 3.49E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.47E-005 Mackay model : 7.69E-005 Octanol/air (Koa) model: 2.79E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.8408 E-12 cm3/molecule-sec Half-Life = 1.087 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 13.043 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.58E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2569 Log Koc: 3.410 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 = 2.542 (BCF = 348.1) log Kow used: 4.21 (expkow database) Volatilization from Water: Henry LC: 0.000279 atm-m3/mole (Henry experimental database) Half-Life from Model River: 4.069 hours Half-Life from Model Lake : 153.8 hours (6.408 days) Removal In Wastewater Treatment: Total removal: 45.73 percent Total biodegradation: 0.37 percent Total sludge adsorption: 38.51 percent Total to Air: 6.84 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.7 26.7 1000 Water 17.4 360 1000 Soil 76.3 720 1000 Sediment 3.52 3.24e+003 0 Persistence Time: 450 hr
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