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N,N'-Bis[2-(1-cyclohexen-1-yl)ethyl]terephthalamide
c1cc(ccc1C(=O)NCCC2=CCCCC2)C(=O)NCCC3=CCCCC3
InChI=1S/C24H32N2O2/c27-23(25-17-15-19-7-3-1-4-8-19)21-11-13-22(14-12-21)24(28)26-18-16-20-9-5-2-6-10-20/h7,9,11-14H,1-6,8,10,15-18H2,(H,25,27)(H,26,28)
IVDFOGVYOATRLF-UHFFFAOYSA-N
CSID:872782, http://www.chemspider.com/Chemical-Structure.872782.html (accessed 17:56, May 23, 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) = 6.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 605.94 (Adapted Stein & Brown method) Melting Pt (deg C): 262.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.31E-013 (Modified Grain method) Subcooled liquid VP: 5.16E-011 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): 0.006971 log Kow used: 6.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.68428 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.69E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.409E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.75 (KowWin est) Log Kaw used: -8.503 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.253 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9867 Biowin2 (Non-Linear Model) : 0.9520 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2498 (months ) Biowin4 (Primary Survey Model) : 3.7096 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2340 Biowin6 (MITI Non-Linear Model): 0.0731 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6846 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): 6.88E-009 Pa (5.16E-011 mm Hg) Log Koa (Koawin est ): 15.253 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 436 Octanol/air (Koa) model: 440 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 207.5146 E-12 cm3/molecule-sec Half-Life = 0.052 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.619 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 86.000000 E-17 cm3/molecule-sec Half-Life = 0.013 Days (at 7E11 mol/cm3) Half-Life = 19.189 Min Reaction With Nitrate Radicals May Be Important! 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 : 1.863E+005 Log Koc: 5.270 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 = 4.496 (BCF = 3.133e+004) log Kow used: 6.75 (estimated) Volatilization from Water: Henry LC: 7.69E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.485E+007 hours (6.188E+005 days) Half-Life from Model Lake : 1.62E+008 hours (6.751E+006 days) Removal In Wastewater Treatment: Total removal: 93.70 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.92 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 0.00269 0.254 1000 Water 1.72 1.44e+003 1000 Soil 31.3 2.88e+003 1000 Sediment 67 1.3e+004 0 Persistence Time: 4.47e+003 hr
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