Try beta.chemspider
N,N'-Bis[1-(bicyclo[2.2.1]hept-2-yl)ethyl]hexanediamide
CC(C1CC2CCC1C2)NC(=O)CCCCC(=O)NC(C)C3CC4CCC3C4
InChI=1S/C24H40N2O2/c1-15(21-13-17-7-9-19(21)11-17)25-23(27)5-3-4-6-24(28)26-16(2)22-14-18-8-10-20(22)12-18/h15-22H,3-14H2,1-2H3,(H,25,27)(H,26,28)
MRLNRUXQOYGTBZ-UHFFFAOYSA-N
CSID:2747221, http://www.chemspider.com/Chemical-Structure.2747221.html (accessed 01:55, 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) = 5.38 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 562.61 (Adapted Stein & Brown method) Melting Pt (deg C): 241.85 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.1E-012 (Modified Grain method) Subcooled liquid VP: 6.89E-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): 0.09086 log Kow used: 5.38 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.91078 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.07E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.745E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.38 (KowWin est) Log Kaw used: -8.359 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.739 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9828 Biowin2 (Non-Linear Model) : 0.9465 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2320 (months ) Biowin4 (Primary Survey Model) : 3.6979 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1389 Biowin6 (MITI Non-Linear Model): 0.0141 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4100 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): 9.19E-008 Pa (6.89E-010 mm Hg) Log Koa (Koawin est ): 13.739 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 32.7 Octanol/air (Koa) model: 13.5 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 58.7048 E-12 cm3/molecule-sec Half-Life = 0.182 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.186 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.435E+005 Log Koc: 5.926 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 = 3.446 (BCF = 2791) log Kow used: 5.38 (estimated) Volatilization from Water: Henry LC: 1.07E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.079E+007 hours (4.494E+005 days) Half-Life from Model Lake : 1.177E+008 hours (4.903E+006 days) Removal In Wastewater Treatment: Total removal: 86.57 percent Total biodegradation: 0.74 percent Total sludge adsorption: 85.83 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 0.0537 4.37 1000 Water 5.8 1.44e+003 1000 Soil 54.9 2.88e+003 1000 Sediment 39.3 1.3e+004 0 Persistence Time: 2.97e+003 hr
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