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N-(4-Butylphenyl)-N'-(2,2,6,6-tetramethyl-4-piperidinyl)ethanediamide
CCCCc1ccc(cc1)NC(=O)C(=O)NC2CC(NC(C2)(C)C)(C)C
InChI=1S/C21H33N3O2/c1-6-7-8-15-9-11-16(12-10-15)22-18(25)19(26)23-17-13-20(2,3)24-21(4,5)14-17/h9-12,17,24H,6-8,13-14H2,1-5H3,(H,22,25)(H,23,26)
NHKOLDNMHPJENJ-UHFFFAOYSA-N
CSID:1470943, http://www.chemspider.com/Chemical-Structure.1470943.html (accessed 18:09, May 21, 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) = 3.87 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 569.53 (Adapted Stein & Brown method) Melting Pt (deg C): 245.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.88E-012 (Modified Grain method) Subcooled liquid VP: 4.57E-010 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): 2.662 log Kow used: 3.88 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 759.14 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.61E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.341E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.87 (KowWin est) Log Kaw used: -11.831 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.701 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9458 Biowin2 (Non-Linear Model) : 0.9668 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1200 (months ) Biowin4 (Primary Survey Model) : 3.6768 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1943 Biowin6 (MITI Non-Linear Model): 0.0196 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.1585 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): 6.09E-008 Pa (4.57E-010 mm Hg) Log Koa (Koawin est ): 15.701 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 49.2 Octanol/air (Koa) model: 1.23E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 139.8777 E-12 cm3/molecule-sec Half-Life = 0.076 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.918 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3218 Log Koc: 3.508 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 = 2.284 (BCF = 192.2) log Kow used: 3.88 (estimated) Volatilization from Water: Henry LC: 3.61E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.075E+010 hours (1.281E+009 days) Half-Life from Model Lake : 3.355E+011 hours (1.398E+010 days) Removal In Wastewater Treatment: Total removal: 24.50 percent Total biodegradation: 0.28 percent Total sludge adsorption: 24.23 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 0.000535 1.84 1000 Water 8.71 1.44e+003 1000 Soil 89.4 2.88e+003 1000 Sediment 1.9 1.3e+004 0 Persistence Time: 2.88e+003 hr
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