2H-Quinolizine
C\1=C\N\2C(=C/C/1)\C=C/C=C/2 CopyCopied
InChI=1S/C9H9N/c1-3-7-10-8-4-2-6-9(10)5-1/h1,3-8H,2H2 CopyCopied
MHBPDRSACQBQET-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
2H-quinolizine
CHEBI:36645 [DBID]
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 203.63 (Adapted Stein & Brown method) Melting Pt (deg C): 20.63 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.301 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 416.7 log Kow used: 2.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 12127 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.01E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.247E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.74 (KowWin est) Log Kaw used: -2.384 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.124 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4798 Biowin2 (Non-Linear Model) : 0.2541 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6545 (weeks-months) Biowin4 (Primary Survey Model) : 3.3705 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3001 Biowin6 (MITI Non-Linear Model): 0.1591 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8734 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): 36.8 Pa (0.276 mm Hg) Log Koa (Koawin est ): 5.124 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.15E-008 Octanol/air (Koa) model: 3.27E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.94E-006 Mackay model : 6.52E-006 Octanol/air (Koa) model: 2.61E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 166.4380 E-12 cm3/molecule-sec Half-Life = 0.064 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.771 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 6.577500 E-17 cm3/molecule-sec Half-Life = 0.174 Days (at 7E11 mol/cm3) Half-Life = 4.182 Hrs Fraction sorbed to airborne particulates (phi): 4.73E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 779.1 Log Koc: 2.892 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 = 1.409 (BCF = 25.64) log Kow used: 2.74 (estimated) Volatilization from Water: Henry LC: 0.000101 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.808 hours Half-Life from Model Lake : 181.2 hours (7.551 days) Removal In Wastewater Treatment: Total removal: 8.69 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.77 percent Total to Air: 4.82 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0981 1.13 1000 Water 18.1 900 1000 Soil 81.6 1.8e+003 1000 Sediment 0.236 8.1e+003 0 Persistence Time: 802 hr
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