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- Double-bond stereo
(1Z)-1-Diazonio-1-undecen-2-olate
CCCCCCCCC/C(=C/[N+]#N)/[O-]
InChI=1S/C11H20N2O/c1-2-3-4-5-6-7-8-9-11(14)10-13-12/h10H,2-9H2,1H3/b11-10-
RCDRHRJSTDWNEY-KHPPLWFESA-N
CSID:4591030, http://www.chemspider.com/Chemical-Structure.4591030.html (accessed 12:51, Apr 24, 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) = 4.45 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 476.04 (Adapted Stein & Brown method) Melting Pt (deg C): 201.41 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.37E-011 (Modified Grain method) Subcooled liquid VP: 1E-009 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): 7.125 log Kow used: 4.45 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 145.66 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Diazoniums Surfactants-cationic Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.71E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.992E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.45 (KowWin est) Log Kaw used: -3.155 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.605 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0746 Biowin2 (Non-Linear Model) : 0.9863 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2459 (weeks ) Biowin4 (Primary Survey Model) : 4.0049 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7123 Biowin6 (MITI Non-Linear Model): 0.7839 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4455 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): 1.33E-007 Pa (1E-009 mm Hg) Log Koa (Koawin est ): 7.605 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 22.5 Octanol/air (Koa) model: 9.89E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 0.999 Octanol/air (Koa) model: 0.00079 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 63.2232 E-12 cm3/molecule-sec Half-Life = 0.169 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.030 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec Half-Life = 1.007 Days (at 7E11 mol/cm3) Half-Life = 24.179 Hrs Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 215.8 Log Koc: 2.334 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 = 1.728 (BCF = 53.46) log Kow used: 4.45 (estimated) Volatilization from Water: Henry LC: 1.71E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 49.53 hours (2.064 days) Half-Life from Model Lake : 658.1 hours (27.42 days) Removal In Wastewater Treatment: Total removal: 53.65 percent Total biodegradation: 0.50 percent Total sludge adsorption: 52.73 percent Total to Air: 0.42 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.276 3.48 1000 Water 20.1 360 1000 Soil 72.8 720 1000 Sediment 6.88 3.24e+003 0 Persistence Time: 532 hr
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