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3-Vinylaniline
C=Cc1cccc(c1)N
InChI=1S/C8H9N/c1-2-7-4-3-5-8(9)6-7/h2-6H,1,9H2
IFSSSYDVRQSDSG-UHFFFAOYSA-N
CSID:3467682, http://www.chemspider.com/Chemical-Structure.3467682.html (accessed 10:02, May 4, 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) = 1.98 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 222.02 (Adapted Stein & Brown method) Melting Pt (deg C): 21.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.118 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2067 log Kow used: 1.98 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2154.9 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aromatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.77E-007 atm-m3/mole Group Method: 1.14E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.951E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.98 (KowWin est) Log Kaw used: -4.399 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.379 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4571 Biowin2 (Non-Linear Model) : 0.3565 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8009 (weeks ) Biowin4 (Primary Survey Model) : 3.5674 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2514 Biowin6 (MITI Non-Linear Model): 0.1715 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0440 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): 14.7 Pa (0.11 mm Hg) Log Koa (Koawin est ): 6.379 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.05E-007 Octanol/air (Koa) model: 5.87E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.39E-006 Mackay model : 1.64E-005 Octanol/air (Koa) model: 4.7E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 127.5045 E-12 cm3/molecule-sec Half-Life = 0.084 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.007 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec Half-Life = 0.546 Days (at 7E11 mol/cm3) Half-Life = 13.097 Hrs Fraction sorbed to airborne particulates (phi): 1.19E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 140.1 Log Koc: 2.147 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 = 0.823 (BCF = 6.654) log Kow used: 1.98 (estimated) Volatilization from Water: Henry LC: 1.14E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 561.8 hours (23.41 days) Half-Life from Model Lake : 6220 hours (259.2 days) Removal In Wastewater Treatment: Total removal: 2.29 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.13 percent Total to Air: 0.06 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.205 1.75 1000 Water 32.2 360 1000 Soil 67.4 720 1000 Sediment 0.111 3.24e+003 0 Persistence Time: 412 hr
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