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Azonane
C1CCCCNCCC1
InChI=1S/C8H17N/c1-2-4-6-8-9-7-5-3-1/h9H,1-8H2
NRHDCQLCSOWVTF-UHFFFAOYSA-N
CSID:72041, http://www.chemspider.com/Chemical-Structure.72041.html (accessed 20:19, 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) = 2.66 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 198.23 (Adapted Stein & Brown method) Melting Pt (deg C): 7.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.394 (Mean VP of Antoine & Grain methods) MP (exp database): -19 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5121 log Kow used: 2.66 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 69636 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.01E-005 atm-m3/mole Group Method: 1.20E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.288E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.66 (KowWin est) Log Kaw used: -2.785 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.445 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8408 Biowin2 (Non-Linear Model) : 0.9099 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9424 (weeks ) Biowin4 (Primary Survey Model) : 3.7075 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5247 Biowin6 (MITI Non-Linear Model): 0.6131 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0533 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): 48 Pa (0.36 mm Hg) Log Koa (Koawin est ): 5.445 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.25E-008 Octanol/air (Koa) model: 6.84E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.26E-006 Mackay model : 5E-006 Octanol/air (Koa) model: 5.47E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 92.8463 E-12 cm3/molecule-sec Half-Life = 0.115 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.382 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.63E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 585.9 Log Koc: 2.768 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 = 1.349 (BCF = 22.36) log Kow used: 2.66 (estimated) Volatilization from Water: Henry LC: 1.2E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 56.18 hours (2.341 days) Half-Life from Model Lake : 707.5 hours (29.48 days) Removal In Wastewater Treatment: Total removal: 4.28 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.52 percent Total to Air: 0.65 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.307 2.76 1000 Water 26.2 360 1000 Soil 73.3 720 1000 Sediment 0.238 3.24e+003 0 Persistence Time: 440 hr
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