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N-(2-Ethylphenyl)-2,2-diphenylcyclopropanecarboxamide
CCc1ccccc1NC(=O)C2CC2(c3ccccc3)c4ccccc4
InChI=1S/C24H23NO/c1-2-18-11-9-10-16-22(18)25-23(26)21-17-24(21,19-12-5-3-6-13-19)20-14-7-4-8-15-20/h3-16,21H,2,17H2,1H3,(H,25,26)
BDKDVTKTLXXPEP-UHFFFAOYSA-N
CSID:2110118, http://www.chemspider.com/Chemical-Structure.2110118.html (accessed 04:55, May 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) = 5.16 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 513.15 (Adapted Stein & Brown method) Melting Pt (deg C): 218.74 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.09E-010 (Modified Grain method) Subcooled liquid VP: 1.27E-008 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): 0.2736 log Kow used: 5.16 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.004549 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.58E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.790E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.16 (KowWin est) Log Kaw used: -8.728 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.888 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9221 Biowin2 (Non-Linear Model) : 0.9645 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1474 (months ) Biowin4 (Primary Survey Model) : 3.3483 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0175 Biowin6 (MITI Non-Linear Model): 0.0126 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2476 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): 1.69E-006 Pa (1.27E-008 mm Hg) Log Koa (Koawin est ): 13.888 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.77 Octanol/air (Koa) model: 19 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.985 Mackay model : 0.993 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 24.9537 E-12 cm3/molecule-sec Half-Life = 0.429 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.144 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.989 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.55E+005 Log Koc: 5.816 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 = 3.273 (BCF = 1875) log Kow used: 5.16 (estimated) Volatilization from Water: Henry LC: 4.58E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.362E+007 hours (9.843E+005 days) Half-Life from Model Lake : 2.577E+008 hours (1.074E+007 days) Removal In Wastewater Treatment: Total removal: 82.17 percent Total biodegradation: 0.71 percent Total sludge adsorption: 81.46 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 0.0148 10.3 1000 Water 5.69 1.44e+003 1000 Soil 69.8 2.88e+003 1000 Sediment 24.5 1.3e+004 0 Persistence Time: 3.55e+003 hr
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