Try beta.chemspider
9-(4-Chlorophenyl)-3,3,6,6-tetramethyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
Clc1ccc(cc1)C3\C2=C(\CC(C)(C)CC2=O)N(C=4CC(C)(C)CC(=O)C3=4)c5ccc(C)cc5
InChI=1S/C30H32ClNO2/c1-18-6-12-21(13-7-18)32-22-14-29(2,3)16-24(33)27(22)26(19-8-10-20(31)11-9-19)28-23(32)15-30(4,5)17-25(28)34/h6-13,26H,14-17H2,1-5H3
DCOWGQSTQYZTOB-UHFFFAOYSA-N
CSID:10604003, http://www.chemspider.com/Chemical-Structure.10604003.html (accessed 07:44, Jul 9, 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) = 7.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 575.29 (Adapted Stein & Brown method) Melting Pt (deg C): 247.77 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.23E-012 (Modified Grain method) Subcooled liquid VP: 3.24E-010 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): 0.0002604 log Kow used: 7.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00010346 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ketones Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.63E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.946E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.73 (KowWin est) Log Kaw used: -9.567 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.297 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1107 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.0713 (recalcitrant) Biowin4 (Primary Survey Model) : 2.2221 (months ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2281 Biowin6 (MITI Non-Linear Model): 0.0007 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -4.1082 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): 4.32E-008 Pa (3.24E-010 mm Hg) Log Koa (Koawin est ): 17.297 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 69.4 Octanol/air (Koa) model: 4.86E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 141.7137 E-12 cm3/molecule-sec Half-Life = 0.075 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.906 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 21.043749 E-17 cm3/molecule-sec Half-Life = 0.054 Days (at 7E11 mol/cm3) Half-Life = 1.307 Hrs Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.342E+005 Log Koc: 5.370 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 = 3.804 (BCF = 6368) log Kow used: 7.73 (estimated) Volatilization from Water: Henry LC: 6.63E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.923E+008 hours (8.011E+006 days) Half-Life from Model Lake : 2.097E+009 hours (8.74E+007 days) Removal In Wastewater Treatment: Total removal: 94.00 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.22 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 0.00293 0.759 1000 Water 0.746 4.32e+003 1000 Soil 41.3 8.64e+003 1000 Sediment 58 3.89e+004 0 Persistence Time: 1.1e+004 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight