Try beta.chemspider
N-(4-Chlorophenyl)-2,2-bis(4-methylphenyl)cyclopropanecarboxamide
Cc1ccc(cc1)C2(CC2C(=O)Nc3ccc(cc3)Cl)c4ccc(cc4)C
InChI=1S/C24H22ClNO/c1-16-3-7-18(8-4-16)24(19-9-5-17(2)6-10-19)15-22(24)23(27)26-21-13-11-20(25)12-14-21/h3-14,22H,15H2,1-2H3,(H,26,27)
VOIBFXHPQWNYHI-UHFFFAOYSA-N
CSID:3069024, http://www.chemspider.com/Chemical-Structure.3069024.html (accessed 09:22, Apr 24, 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) = 6.42 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 531.84 (Adapted Stein & Brown method) Melting Pt (deg C): 227.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.86E-011 (Modified Grain method) Subcooled liquid VP: 4.26E-009 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): 0.01408 log Kow used: 6.42 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0010457 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.82E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.005E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.42 (KowWin est) Log Kaw used: -8.938 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.358 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5217 Biowin2 (Non-Linear Model) : 0.0978 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7458 (recalcitrant) Biowin4 (Primary Survey Model) : 3.0550 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0080 Biowin6 (MITI Non-Linear Model): 0.0061 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.4376 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): 5.68E-007 Pa (4.26E-009 mm Hg) Log Koa (Koawin est ): 15.358 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.28 Octanol/air (Koa) model: 560 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.995 Mackay model : 0.998 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 16.2441 E-12 cm3/molecule-sec Half-Life = 0.658 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.901 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.996 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.711E+005 Log Koc: 5.940 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 = 4.246 (BCF = 1.763e+004) log Kow used: 6.42 (estimated) Volatilization from Water: Henry LC: 2.82E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.025E+007 hours (1.677E+006 days) Half-Life from Model Lake : 4.391E+008 hours (1.83E+007 days) Removal In Wastewater Treatment: Total removal: 93.31 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.54 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 0.0069 15.8 1000 Water 0.876 4.32e+003 1000 Soil 54.6 8.64e+003 1000 Sediment 44.5 3.89e+004 0 Persistence Time: 1.34e+004 hr
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