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- Charge
Methanetriolate
[O-]C([O-])[O-]
InChI=1S/CHO3/c2-1(3)4/h1H/q-3
RLXWGEUQYNIHRM-UHFFFAOYSA-N
Date of deprecation: 22:04, Dec 1, 2012 Reason for deprecation: Deprecate record: Appears to be a name-to structure error
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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) = -2.33 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 178.60 (Adapted Stein & Brown method) Melting Pt (deg C): -7.02 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.141 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -2.33 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.60E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.188E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -2.33 (KowWin est) Log Kaw used: -6.832 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.502 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1932 Biowin2 (Non-Linear Model) : 0.9957 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.5376 (days-weeks ) Biowin4 (Primary Survey Model) : 4.1437 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9544 Biowin6 (MITI Non-Linear Model): 0.9731 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0685 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): 16.5 Pa (0.124 mm Hg) Log Koa (Koawin est ): 4.502 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.81E-007 Octanol/air (Koa) model: 7.8E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.55E-006 Mackay model : 1.45E-005 Octanol/air (Koa) model: 6.24E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 83.5975 E-12 cm3/molecule-sec Half-Life = 0.128 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.535 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.05E-005 (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: -2.33 (estimated) Volatilization from Water: Henry LC: 3.6E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.301E+005 hours (5423 days) Half-Life from Model Lake : 1.42E+006 hours (5.916E+004 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 0.105 3.07 1000 Water 36 208 1000 Soil 63.8 416 1000 Sediment 0.0623 1.87e+003 0 Persistence Time: 348 hr
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