- Charge
Dioxido(dioxo)molybdenum
[O-][Mo](=O)(=O)[O-]
InChI=1S/Mo.4O/q;;;2*-1
MEFBJEMVZONFCJ-UHFFFAOYSA-N
CSID:23023, http://www.chemspider.com/Chemical-Structure.23023.html (accessed 13:13, May 30, 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) = 1.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 666.25 (Adapted Stein & Brown method) Melting Pt (deg C): 290.26 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.61E-019 (Modified Grain method) Subcooled liquid VP: 2.31E-016 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): 1510 log Kow used: 1.93 (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 : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.683E-023 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6704 Biowin2 (Non-Linear Model) : 0.6702 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8413 (weeks ) Biowin4 (Primary Survey Model) : 3.6141 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2303 Biowin6 (MITI Non-Linear Model): 0.1044 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 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): 3.08E-014 Pa (2.31E-016 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.74E+007 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.2800 E-12 cm3/molecule-sec Half-Life = 38.200 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 48.64 Log Koc: 1.687 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 = 0.785 (BCF = 6.1) log Kow used: 1.93 (estimated) Volatilization from Water: Henry LC: 3.68E-023 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 2.023E+019 hours (8.429E+017 days) Half-Life from Model Lake : 2.207E+020 hours (9.195E+018 days) Removal In Wastewater Treatment: Total removal: 2.19 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.09 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 5.88e-006 917 1000 Water 23.6 360 1000 Soil 76.3 720 1000 Sediment 0.0774 3.24e+003 0 Persistence Time: 702 hr
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