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Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
6853-31-2 [RN]
Hydroxymethyl-d3 radical
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -0.63 Log Kow (Exper. database match) = -0.77 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 39.35 (Adapted Stein & Brown method) Melting Pt (deg C): -101.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 119 (Mean VP of Antoine & Grain methods) MP (exp database): -97.6 deg C BP (exp database): 64.7 deg C VP (exp database): 1.27E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -0.77 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C) Exper. Ref: RIDDICK,JA ET AL. (1986) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L Wat Sol (Exper. database match) = 1000000.00 Exper. Ref: RIDDICK,JA ET AL. (1986) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.27E-006 atm-m3/mole Group Method: 3.62E-006 atm-m3/mole Exper Database: 4.55E-06 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.017E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.77 (exp database) Log Kaw used: -3.730 (exp database) Log Koa (KOAWIN v1.10 estimate): 2.960 Log Koa (experimental database): 2.880 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8910 Biowin2 (Non-Linear Model) : 0.9752 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2883 (days-weeks ) Biowin4 (Primary Survey Model) : 3.9310 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7784 Biowin6 (MITI Non-Linear Model): 0.9324 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8893 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): 1.69E+004 Pa (127 mm Hg) Log Koa (Exp database): 2.880 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.77E-010 Octanol/air (Koa) model: 1.86E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.4E-009 Mackay model : 1.42E-008 Octanol/air (Koa) model: 1.49E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.6160 E-12 cm3/molecule-sec Half-Life = 17.364 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.03E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1 Log Koc: 0.000 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: -0.77 (expkow database) Volatilization from Water: Henry LC: 4.55E-006 atm-m3/mole (Henry experimental database) Half-Life from Model River: 73.41 hours (3.059 days) Half-Life from Model Lake : 848.3 hours (35.35 days) Removal In Wastewater Treatment: Total removal: 2.10 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.26 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 10.4 272 1000 Water 40.1 208 1000 Soil 49.5 416 1000 Sediment 0.0694 1.87e+003 0 Persistence Time: 259 hr