Try beta.chemspider
3,3'-(Methylenedi-1,2-piperidinediyl)dipyridine
c1cc(cnc1)C2CCCCN2CN3CCCCC3c4cccnc4
InChI=1S/C21H28N4/c1-3-13-24(20(9-1)18-7-5-11-22-15-18)17-25-14-4-2-10-21(25)19-8-6-12-23-16-19/h5-8,11-12,15-16,20-21H,1-4,9-10,13-14,17H2
KFIPVCUMEJOXQF-UHFFFAOYSA-N
CSID:2943090, http://www.chemspider.com/Chemical-Structure.2943090.html (accessed 00:20, Jul 6, 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) = 2.15 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 446.62 (Adapted Stein & Brown method) Melting Pt (deg C): 187.66 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.18E-008 (Modified Grain method) Subcooled liquid VP: 5.96E-007 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): 2.232e+004 log Kow used: 2.15 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4195.6 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.80E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.341E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.15 (KowWin est) Log Kaw used: -11.556 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.706 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1323 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.5176 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7488 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2721 Biowin6 (MITI Non-Linear Model): 0.0025 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6629 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): 7.95E-005 Pa (5.96E-007 mm Hg) Log Koa (Koawin est ): 13.706 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0378 Octanol/air (Koa) model: 12.5 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.577 Mackay model : 0.751 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 288.7670 E-12 cm3/molecule-sec Half-Life = 0.037 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 26.669 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.664 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.019E+006 Log Koc: 6.480 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 = 0.952 (BCF = 8.961) log Kow used: 2.15 (estimated) Volatilization from Water: Henry LC: 6.8E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.579E+010 hours (6.581E+008 days) Half-Life from Model Lake : 1.723E+011 hours (7.179E+009 days) Removal In Wastewater Treatment: Total removal: 2.41 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.31 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 7.74e-007 0.889 1000 Water 19.4 4.32e+003 1000 Soil 80.5 8.64e+003 1000 Sediment 0.0964 3.89e+004 0 Persistence Time: 3.45e+003 hr
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