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(Z)-2-Hydroxy-2-(8-methoxy-1,2,3,4-tetrahydro-2-naphthalenyl)ethenediazonium
N#[N+]\C=C(/O)C2Cc1c(cccc1OC)CC2
InChI=1S/C13H14N2O2/c1-17-13-4-2-3-9-5-6-10(7-11(9)13)12(16)8-15-14/h2-4,8,10H,5-7H2,1H3/p+1/b12-8-
RQKZUTHZPJYVFB-WQLSENKSSA-O
CSID:9228586, http://www.chemspider.com/Chemical-Structure.9228586.html (accessed 01:28, Jul 3, 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) = 2.72 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 524.45 (Adapted Stein & Brown method) Melting Pt (deg C): 224.02 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.46E-013 (Modified Grain method) Subcooled liquid VP: 3.32E-011 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): 142.8 log Kow used: 2.72 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 12429 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Diazoniums Vinyl/Allyl Ethers Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.10E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.242E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.72 (KowWin est) Log Kaw used: -5.066 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.786 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6026 Biowin2 (Non-Linear Model) : 0.1859 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8638 (weeks ) Biowin4 (Primary Survey Model) : 3.6771 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3075 Biowin6 (MITI Non-Linear Model): 0.0711 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2431 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): 4.43E-009 Pa (3.32E-011 mm Hg) Log Koa (Koawin est ): 7.786 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 678 Octanol/air (Koa) model: 1.5E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 0.0012 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 368.1906 E-12 cm3/molecule-sec Half-Life = 0.029 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 20.916 Min Ozone Reaction: OVERALL Ozone Rate Constant = 172.425003 E-17 cm3/molecule-sec Half-Life = 0.007 Days (at 7E11 mol/cm3) Half-Life = 9.571 Min Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 42.02 Log Koc: 1.623 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 = 1.393 (BCF = 24.74) log Kow used: 2.72 (estimated) Volatilization from Water: Henry LC: 2.1E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4242 hours (176.7 days) Half-Life from Model Lake : 4.64E+004 hours (1933 days) Removal In Wastewater Treatment: Total removal: 3.91 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.79 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 0.0139 0.13 1000 Water 26.4 360 1000 Soil 73.3 720 1000 Sediment 0.266 3.24e+003 0 Persistence Time: 450 hr
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