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3H-Diaziren-3-one
O=C\1/N=N/1
InChI=1S/CN2O/c4-1-2-3-1
HVMAHZUWXWZAID-UHFFFAOYSA-N
CSID:9449962, http://www.chemspider.com/Chemical-Structure.9449962.html (accessed 14:50, May 15, 2024)
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) = -1.58 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 111.11 (Adapted Stein & Brown method) Melting Pt (deg C): -9.72 (Mean or Weighted MP) VP(mm Hg,25 deg C): 23.1 (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: -1.58 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.1539e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.62E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.703E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.58 (KowWin est) Log Kaw used: -2.830 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.250 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7209 Biowin2 (Non-Linear Model) : 0.9014 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0754 (weeks ) Biowin4 (Primary Survey Model) : 3.7669 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5455 Biowin6 (MITI Non-Linear Model): 0.7127 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 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): 2.91E+003 Pa (21.8 mm Hg) Log Koa (Koawin est ): 1.250 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.03E-009 Octanol/air (Koa) model: 4.37E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.73E-008 Mackay model : 8.26E-008 Octanol/air (Koa) model: 3.49E-010 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): 5.99E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.007 Log Koc: 0.603 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: -1.58 (estimated) Volatilization from Water: Henry LC: 3.62E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 12.87 hours Half-Life from Model Lake : 203.1 hours (8.465 days) Removal In Wastewater Treatment: Total removal: 3.75 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.72 percent Total to Air: 1.93 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 13.7 1e+005 1000 Water 44.1 360 1000 Soil 42.2 720 1000 Sediment 0.0807 3.24e+003 0 Persistence Time: 326 hr
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