2,2-Bis(4-methylphenyl)-N-(2-phenylethyl)cyclopropanecarboxamide
Cc1ccc(cc1)C2(CC2C(=O)NCCc3ccccc3)c4ccc(cc4)C
InChI=1S/C26H27NO/c1-19-8-12-22(13-9-19)26(23-14-10-20(2)11-15-23)18-24(26)25(28)27-17-16-21-6-4-3-5-7-21/h3-15,24H,16-18H2,1-2H3,(H,27,28)
ONNQCVJTTVXIRQ-UHFFFAOYSA-N
CSID:2159135, http://www.chemspider.com/Chemical-Structure.2159135.html (accessed 21:17, Apr 17, 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) = 6.18 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 536.35 (Adapted Stein & Brown method) Melting Pt (deg C): 229.58 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.07E-011 (Modified Grain method) Subcooled liquid VP: 3.26E-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): 0.02477 log Kow used: 6.18 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0030949 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.62E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.063E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.18 (KowWin est) Log Kaw used: -9.179 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.359 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8900 Biowin2 (Non-Linear Model) : 0.9055 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9137 (months ) Biowin4 (Primary Survey Model) : 3.1659 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0227 Biowin6 (MITI Non-Linear Model): 0.0138 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.0083 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): 4.35E-007 Pa (3.26E-009 mm Hg) Log Koa (Koawin est ): 15.359 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.9 Octanol/air (Koa) model: 561 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.996 Mackay model : 0.998 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.8229 E-12 cm3/molecule-sec Half-Life = 0.371 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.453 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.997 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.226E+006 Log Koc: 6.915 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 = 4.060 (BCF = 1.149e+004) log Kow used: 6.18 (estimated) Volatilization from Water: Henry LC: 1.62E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.947E+007 hours (2.895E+006 days) Half-Life from Model Lake : 7.579E+008 hours (3.158E+007 days) Removal In Wastewater Treatment: Total removal: 92.79 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.01 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 0.0132 8.91 1000 Water 2.09 1.44e+003 1000 Soil 46 2.88e+003 1000 Sediment 51.9 1.3e+004 0 Persistence Time: 5.22e+003 hr
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