Try beta.chemspider
2,3-Dihydroazete
C1CN=C1
InChI=1S/C3H5N/c1-2-4-3-1/h2H,1,3H2
PTLWKRLAWHBMLM-UHFFFAOYSA-N
CSID:122433, http://www.chemspider.com/Chemical-Structure.122433.html (accessed 08:40, Apr 25, 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) = 1.57 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 54.36 (Adapted Stein & Brown method) Melting Pt (deg C): -70.28 (Mean or Weighted MP) VP(mm Hg,25 deg C): 247 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6221 log Kow used: 1.57 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6309.9 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.84E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.878E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.57 (KowWin est) Log Kaw used: -0.935 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.505 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7213 Biowin2 (Non-Linear Model) : 0.9026 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0775 (weeks ) Biowin4 (Primary Survey Model) : 3.7683 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6002 Biowin6 (MITI Non-Linear Model): 0.7823 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6355 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): 3.25E+004 Pa (244 mm Hg) Log Koa (Koawin est ): 2.505 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.22E-011 Octanol/air (Koa) model: 7.85E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.33E-009 Mackay model : 7.38E-009 Octanol/air (Koa) model: 6.28E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.3855 E-12 cm3/molecule-sec Half-Life = 7.720 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 92.642 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.35E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 48.64 Log Koc: 1.687 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 = 0.510 (BCF = 3.237) log Kow used: 1.57 (estimated) Volatilization from Water: Henry LC: 0.00284 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 0.9103 hours (54.62 min) Half-Life from Model Lake : 72.16 hours (3.007 days) Removal In Wastewater Treatment: Total removal: 53.77 percent Total biodegradation: 0.05 percent Total sludge adsorption: 1.07 percent Total to Air: 52.64 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 40.7 185 1000 Water 46.3 360 1000 Soil 13 720 1000 Sediment 0.114 3.24e+003 0 Persistence Time: 142 hr
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