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2,2-Bis(2-methylphenyl)-N-(4-methylphenyl)cyclopropanecarboxamide
Cc1ccc(cc1)NC(=O)C2CC2(c3ccccc3C)c4ccccc4C
InChI=1S/C25H25NO/c1-17-12-14-20(15-13-17)26-24(27)23-16-25(23,21-10-6-4-8-18(21)2)22-11-7-5-9-19(22)3/h4-15,23H,16H2,1-3H3,(H,26,27)
BAWNHTVRPCGAOE-UHFFFAOYSA-N
CSID:2359588, http://www.chemspider.com/Chemical-Structure.2359588.html (accessed 18:23, May 21, 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) = 6.33 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 524.74 (Adapted Stein & Brown method) Melting Pt (deg C): 224.16 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.75E-011 (Modified Grain method) Subcooled liquid VP: 6.46E-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): 0.0227 log Kow used: 6.33 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0014511 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.20E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.787E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.33 (KowWin est) Log Kaw used: -8.765 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.095 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7685 Biowin2 (Non-Linear Model) : 0.6593 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9227 (months ) Biowin4 (Primary Survey Model) : 3.1813 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1040 Biowin6 (MITI Non-Linear Model): 0.0183 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.4071 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): 8.61E-007 Pa (6.46E-009 mm Hg) Log Koa (Koawin est ): 15.095 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.48 Octanol/air (Koa) model: 305 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.992 Mackay model : 0.996 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.9757 E-12 cm3/molecule-sec Half-Life = 0.382 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.588 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.994 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.078E+005 Log Koc: 5.958 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 = 4.171 (BCF = 1.484e+004) log Kow used: 6.33 (estimated) Volatilization from Water: Henry LC: 4.2E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.628E+007 hours (1.095E+006 days) Half-Life from Model Lake : 2.867E+008 hours (1.195E+007 days) Removal In Wastewater Treatment: Total removal: 93.15 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.37 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 0.0155 9.18 1000 Water 1.86 1.44e+003 1000 Soil 44.2 2.88e+003 1000 Sediment 54 1.3e+004 0 Persistence Time: 5.35e+003 hr
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