[Nitroso(phenyl)amino]methyl acetate
CC(=O)OCN(c1ccccc1)N=O
InChI=1S/C9H10N2O3/c1-8(12)14-7-11(10-13)9-5-3-2-4-6-9/h2-6H,7H2,1H3
CSCFSVBKSFKSMX-UHFFFAOYSA-N
CSID:118000, http://www.chemspider.com/Chemical-Structure.118000.html (accessed 07:38, Apr 20, 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) = 2.18 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 335.63 (Adapted Stein & Brown method) Melting Pt (deg C): 87.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000147 (Modified Grain method) Subcooled liquid VP: 0.000579 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): 639.6 log Kow used: 2.18 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7089.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.29E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.872E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.18 (KowWin est) Log Kaw used: -5.029 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.209 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4329 Biowin2 (Non-Linear Model) : 0.9464 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5471 (weeks-months) Biowin4 (Primary Survey Model) : 3.8199 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3645 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6954 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): 0.0772 Pa (0.000579 mm Hg) Log Koa (Koawin est ): 7.209 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.89E-005 Octanol/air (Koa) model: 3.97E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0014 Mackay model : 0.0031 Octanol/air (Koa) model: 0.000318 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 26.3566 E-12 cm3/molecule-sec Half-Life = 0.406 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.870 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00225 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 98.91 Log Koc: 1.995 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 8.876E-001 L/mol-sec Kb Half-Life at pH 8: 9.038 days Kb Half-Life at pH 7: 90.382 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.981 (BCF = 9.577) log Kow used: 2.18 (estimated) Volatilization from Water: Henry LC: 2.29E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3564 hours (148.5 days) Half-Life from Model Lake : 3.9E+004 hours (1625 days) Removal In Wastewater Treatment: Total removal: 2.46 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.35 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.404 9.74 1000 Water 26.4 900 1000 Soil 73.1 1.8e+003 1000 Sediment 0.128 8.1e+003 0 Persistence Time: 929 hr
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