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1-Chloro-1-nitrosocyclohexane
C1CCC(CC1)(N=O)Cl
InChI=1S/C6H10ClNO/c7-6(8-9)4-2-1-3-5-6/h1-5H2
NJGFNBVUIGJGOK-UHFFFAOYSA-N
CSID:553165, http://www.chemspider.com/Chemical-Structure.553165.html (accessed 15:10, Apr 26, 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) = 3.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 139.88 (Adapted Stein & Brown method) Melting Pt (deg C): 12.40 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.39 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 41.08 log Kow used: 3.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 92.339 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.44E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.021E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.84 (KowWin est) Log Kaw used: -2.230 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.070 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3820 Biowin2 (Non-Linear Model) : 0.0652 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4877 (weeks-months) Biowin4 (Primary Survey Model) : 3.3807 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4404 Biowin6 (MITI Non-Linear Model): 0.3115 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1129 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): 784 Pa (5.88 mm Hg) Log Koa (Koawin est ): 6.070 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.83E-009 Octanol/air (Koa) model: 2.88E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.38E-007 Mackay model : 3.06E-007 Octanol/air (Koa) model: 2.31E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.5368 E-12 cm3/molecule-sec Half-Life = 1.636 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 19.635 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.22E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 117.7 Log Koc: 2.071 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 = 2.255 (BCF = 179.7) log Kow used: 3.84 (estimated) Volatilization from Water: Henry LC: 0.000144 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.18 hours Half-Life from Model Lake : 169.3 hours (7.054 days) Removal In Wastewater Treatment: Total removal: 27.84 percent Total biodegradation: 0.25 percent Total sludge adsorption: 22.43 percent Total to Air: 5.16 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.63 39.3 1000 Water 12.6 900 1000 Soil 83.7 1.8e+003 1000 Sediment 2.04 8.1e+003 0 Persistence Time: 1e+003 hr
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