Dioxocerium
O=[Ce]=O
InChI=1S/Ce.2O
CETPSERCERDGAM-UHFFFAOYSA-N
CSID:66592, http://www.chemspider.com/Chemical-Structure.66592.html (accessed 06:18, Jun 7, 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) = 2.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 564.42 (Adapted Stein & Brown method) Melting Pt (deg C): 242.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.45E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -72 deg C BP (exp database): -10 deg C VP (exp database): 3.00E+03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 750.3 log Kow used: 2.23 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 1.07e+005 mg/L (21 deg C) Exper. Ref: VENABLE,CS & FUWA,T (1922) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.0552e+005 mg/L Wat Sol (Exper. database match) = 107000.00 Exper. Ref: VENABLE,CS & FUWA,T (1922) 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]: 2.294E-001 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) : 0.6656 Biowin2 (Non-Linear Model) : 0.6375 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8188 (weeks ) Biowin4 (Primary Survey Model) : 3.5994 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2001 Biowin6 (MITI Non-Linear Model): 0.0799 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): 4E+005 Pa (3E+003 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.5E-012 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.71E-010 Mackay model : 6E-010 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.35E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 23.74 Log Koc: 1.376 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 = 1.016 (BCF = 10.38) log Kow used: 2.23 (estimated) Volatilization from Water: Henry LC: 0.229 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 1.342 hours Half-Life from Model Lake : 124.6 hours (5.194 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.65 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.65 percent Total to Air: 98.98 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 56.7 1e+005 1000 Water 42.5 360 1000 Soil 0.615 720 1000 Sediment 0.199 3.24e+003 0 Persistence Time: 145 hr
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