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1-[5-(2-Chlorophenyl)-2-furyl]-N-(2-furylmethyl)methanamine
c1ccc(c(c1)c2ccc(o2)CNCc3ccco3)Cl
InChI=1S/C16H14ClNO2/c17-15-6-2-1-5-14(15)16-8-7-13(20-16)11-18-10-12-4-3-9-19-12/h1-9,18H,10-11H2
IUSUEFVMMWQTPF-UHFFFAOYSA-N
CSID:4975304, http://www.chemspider.com/Chemical-Structure.4975304.html (accessed 00:04, Apr 26, 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) = 4.39 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 392.18 (Adapted Stein & Brown method) Melting Pt (deg C): 147.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.41E-007 (Modified Grain method) Subcooled liquid VP: 1.29E-005 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): 26.2 log Kow used: 4.39 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 19.638 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.14E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.071E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.39 (KowWin est) Log Kaw used: -6.600 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.990 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5820 Biowin2 (Non-Linear Model) : 0.1210 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3811 (weeks-months) Biowin4 (Primary Survey Model) : 3.3105 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1419 Biowin6 (MITI Non-Linear Model): 0.0043 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2624 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): 0.00172 Pa (1.29E-005 mm Hg) Log Koa (Koawin est ): 10.990 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00174 Octanol/air (Koa) model: 0.024 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0593 Mackay model : 0.122 Octanol/air (Koa) model: 0.657 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 245.3490 E-12 cm3/molecule-sec Half-Life = 0.044 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.523 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.0909 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.981E+005 Log Koc: 5.600 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 = 2.681 (BCF = 479.7) log Kow used: 4.39 (estimated) Volatilization from Water: Henry LC: 6.14E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.618E+005 hours (6740 days) Half-Life from Model Lake : 1.765E+006 hours (7.353E+004 days) Removal In Wastewater Treatment: Total removal: 50.14 percent Total biodegradation: 0.48 percent Total sludge adsorption: 49.66 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 0.022 1.05 1000 Water 13.1 900 1000 Soil 79.2 1.8e+003 1000 Sediment 7.65 8.1e+003 0 Persistence Time: 1.44e+003 hr
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