- Charge
Amino(4-pentylphenyl)methaniminium
CCCCCc1ccc(cc1)C(=[NH2+])N
InChI=1S/C12H18N2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9H,2-5H2,1H3,(H3,13,14)/p+1
LXPMHRCEFGFGTE-UHFFFAOYSA-O
CSID:5021203, http://www.chemspider.com/Chemical-Structure.5021203.html (accessed 02:16, Apr 20, 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) = 3.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 319.88 (Adapted Stein & Brown method) Melting Pt (deg C): 96.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000137 (Modified Grain method) Subcooled liquid VP: 0.000675 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): 80.36 log Kow used: 3.26 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 35.473 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.29E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.269E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.26 (KowWin est) Log Kaw used: -5.590 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.850 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8201 Biowin2 (Non-Linear Model) : 0.9386 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0021 (weeks ) Biowin4 (Primary Survey Model) : 3.7737 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2719 Biowin6 (MITI Non-Linear Model): 0.2135 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0132 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): 0.09 Pa (0.000675 mm Hg) Log Koa (Koawin est ): 8.850 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.33E-005 Octanol/air (Koa) model: 0.000174 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0012 Mackay model : 0.00266 Octanol/air (Koa) model: 0.0137 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 32.1035 E-12 cm3/molecule-sec Half-Life = 0.333 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.998 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00193 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.205E+004 Log Koc: 4.081 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 = 1.811 (BCF = 64.73) log Kow used: 3.26 (estimated) Volatilization from Water: Henry LC: 6.29E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.284E+004 hours (535.1 days) Half-Life from Model Lake : 1.402E+005 hours (5842 days) Removal In Wastewater Treatment: Total removal: 8.62 percent Total biodegradation: 0.15 percent Total sludge adsorption: 8.47 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.434 8 1000 Water 21.4 360 1000 Soil 77.6 720 1000 Sediment 0.588 3.24e+003 0 Persistence Time: 557 hr
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