N-Methylcyclopropanamine
CNC1CC1
InChI=1S/C4H9N/c1-5-4-2-3-4/h4-5H,2-3H2,1H3
VEBLEROFGPOMPB-UHFFFAOYSA-N
CSID:9204930, http://www.chemspider.com/Chemical-Structure.9204930.html (accessed 15:15, Mar 29, 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) = 0.62 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 72.53 (Adapted Stein & Brown method) Melting Pt (deg C): -69.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 119 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.033e+005 log Kow used: 0.62 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.3146e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.29E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.761E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.62 (KowWin est) Log Kaw used: -3.278 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.898 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8675 Biowin2 (Non-Linear Model) : 0.9572 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0664 (weeks ) Biowin4 (Primary Survey Model) : 3.7884 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5861 Biowin6 (MITI Non-Linear Model): 0.6343 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7332 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): 1.55E+004 Pa (116 mm Hg) Log Koa (Koawin est ): 3.898 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.94E-010 Octanol/air (Koa) model: 1.94E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.01E-009 Mackay model : 1.55E-008 Octanol/air (Koa) model: 1.55E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 64.8672 E-12 cm3/molecule-sec Half-Life = 0.165 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.979 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.13E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.341 Log Koc: 0.970 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 = 0.500 (BCF = 3.162) log Kow used: 0.62 (estimated) Volatilization from Water: Henry LC: 1.29E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 39.14 hours (1.631 days) Half-Life from Model Lake : 497.7 hours (20.74 days) Removal In Wastewater Treatment: Total removal: 2.57 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 percent Total to Air: 0.72 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.677 3.96 1000 Water 46.9 360 1000 Soil 52.4 720 1000 Sediment 0.0891 3.24e+003 0 Persistence Time: 320 hr
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