Try beta.chemspider
N-(2-Benzoyl-4-chlorophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CC1(C2(CCC1(CC2=O)C(=O)Nc3ccc(cc3C(=O)c4ccccc4)Cl)C)C
InChI=1S/C24H24ClNO3/c1-22(2)23(3)11-12-24(22,14-19(23)27)21(29)26-18-10-9-16(25)13-17(18)20(28)15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3,(H,26,29)
ZRPNMVLCUYXIQU-UHFFFAOYSA-N
CSID:2194139, http://www.chemspider.com/Chemical-Structure.2194139.html (accessed 01:47, Apr 30, 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) = 5.83 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 563.50 (Adapted Stein & Brown method) Melting Pt (deg C): 242.26 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.91E-012 (Modified Grain method) Subcooled liquid VP: 6.54E-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): 0.0278 log Kow used: 5.83 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.98491 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.57E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.646E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.83 (KowWin est) Log Kaw used: -13.193 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.023 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1701 Biowin2 (Non-Linear Model) : 0.0016 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.3732 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7965 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1899 Biowin6 (MITI Non-Linear Model): 0.0171 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -3.0646 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): 8.72E-008 Pa (6.54E-010 mm Hg) Log Koa (Koawin est ): 19.023 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 34.4 Octanol/air (Koa) model: 2.59E+006 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 = 13.4305 E-12 cm3/molecule-sec Half-Life = 0.796 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.557 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 : 6062 Log Koc: 3.783 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 = 2.951 (BCF = 892.4) log Kow used: 5.83 (estimated) Volatilization from Water: Henry LC: 1.57E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.55E+011 hours (3.146E+010 days) Half-Life from Model Lake : 8.237E+012 hours (3.432E+011 days) Removal In Wastewater Treatment: Total removal: 91.27 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.51 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 3.8e-006 19.1 1000 Water 1.42 4.32e+003 1000 Soil 63.6 8.64e+003 1000 Sediment 35 3.89e+004 0 Persistence Time: 1.24e+004 hr
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