Try beta.chemspider
N,N'-Bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide
CC(C)(CCC(=O)Nc1ccc(cc1Cl)Cl)C(=O)Nc2ccc(cc2Cl)Cl
InChI=1S/C19H18Cl4N2O2/c1-19(2,18(27)25-16-6-4-12(21)10-14(16)23)8-7-17(26)24-15-5-3-11(20)9-13(15)22/h3-6,9-10H,7-8H2,1-2H3,(H,24,26)(H,25,27)
YCNVYKPSUMSCMR-UHFFFAOYSA-N
CSID:5043183, http://www.chemspider.com/Chemical-Structure.5043183.html (accessed 01:37, 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) = 4.67 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 607.53 (Adapted Stein & Brown method) Melting Pt (deg C): 262.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.17E-013 (Modified Grain method) Subcooled liquid VP: 4.69E-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): 0.1568 log Kow used: 4.67 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0046696 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.67E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.400E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.67 (KowWin est) Log Kaw used: -10.504 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.174 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0409 Biowin2 (Non-Linear Model) : 0.0004 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.0618 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7972 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1267 Biowin6 (MITI Non-Linear Model): 0.0006 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.9227 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): 6.25E-009 Pa (4.69E-011 mm Hg) Log Koa (Koawin est ): 15.174 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 480 Octanol/air (Koa) model: 366 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 = 18.2455 E-12 cm3/molecule-sec Half-Life = 0.586 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.035 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 : 8.187E+004 Log Koc: 4.913 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 = 2.897 (BCF = 788.8) log Kow used: 4.67 (estimated) Volatilization from Water: Henry LC: 7.67E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.616E+009 hours (6.733E+007 days) Half-Life from Model Lake : 1.763E+010 hours (7.346E+008 days) Removal In Wastewater Treatment: Total removal: 64.58 percent Total biodegradation: 0.58 percent Total sludge adsorption: 63.99 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 0.0241 14.1 1000 Water 3.81 4.32e+003 1000 Soil 87.5 8.64e+003 1000 Sediment 8.7 3.89e+004 0 Persistence Time: 7.58e+003 hr
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