Try beta.chemspider
N-(2-Fluorophenyl)-2,2-bis(3-methylphenyl)cyclopropanecarboxamide
Cc1cccc(c1)C2(CC2C(=O)Nc3ccccc3F)c4cccc(c4)C
InChI=1S/C24H22FNO/c1-16-7-5-9-18(13-16)24(19-10-6-8-17(2)14-19)15-20(24)23(27)26-22-12-4-3-11-21(22)25/h3-14,20H,15H2,1-2H3,(H,26,27)
LVUCTWHBFOKOIC-UHFFFAOYSA-N
CSID:2169053, http://www.chemspider.com/Chemical-Structure.2169053.html (accessed 08:11, May 13, 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) = 5.42 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 510.47 (Adapted Stein & Brown method) Melting Pt (deg C): 217.49 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.32E-010 (Modified Grain method) Subcooled liquid VP: 1.49E-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): 0.1286 log Kow used: 5.42 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0042721 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.44E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.855E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.42 (KowWin est) Log Kaw used: -8.741 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.161 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0980 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.5819 (recalcitrant) Biowin4 (Primary Survey Model) : 3.2575 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0681 Biowin6 (MITI Non-Linear Model): 0.0002 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.0353 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): 1.99E-006 Pa (1.49E-008 mm Hg) Log Koa (Koawin est ): 14.161 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.51 Octanol/air (Koa) model: 35.6 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.982 Mackay model : 0.992 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.0257 E-12 cm3/molecule-sec Half-Life = 0.396 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.749 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.987 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.893E+005 Log Koc: 5.949 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 = 3.471 (BCF = 2955) log Kow used: 5.42 (estimated) Volatilization from Water: Henry LC: 4.44E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.5E+007 hours (1.042E+006 days) Half-Life from Model Lake : 2.727E+008 hours (1.136E+007 days) Removal In Wastewater Treatment: Total removal: 87.19 percent Total biodegradation: 0.74 percent Total sludge adsorption: 86.45 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 0.00428 9.5 1000 Water 2.19 4.32e+003 1000 Soil 72 8.64e+003 1000 Sediment 25.8 3.89e+004 0 Persistence Time: 1.04e+004 hr
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