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1-Methoxy-4-methyl-9,10-anthraquinone
Cc1ccc(c2c1C(=O)c3ccccc3C2=O)OC
InChI=1S/C16H12O3/c1-9-7-8-12(19-2)14-13(9)15(17)10-5-3-4-6-11(10)16(14)18/h3-8H,1-2H3
WYBJXCQINMNCRX-UHFFFAOYSA-N
CSID:11516933, http://www.chemspider.com/Chemical-Structure.11516933.html (accessed 04:18, Jul 2, 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) = 3.97 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 398.84 (Adapted Stein & Brown method) Melting Pt (deg C): 152.22 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.48E-007 (Modified Grain method) Subcooled liquid VP: 8.87E-006 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): 0.7223 log Kow used: 3.97 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.22958 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.07E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.059E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.97 (KowWin est) Log Kaw used: -8.072 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.042 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8277 Biowin2 (Non-Linear Model) : 0.7934 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4638 (weeks-months) Biowin4 (Primary Survey Model) : 3.4479 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4835 Biowin6 (MITI Non-Linear Model): 0.3274 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7936 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): 0.00118 Pa (8.87E-006 mm Hg) Log Koa (Koawin est ): 12.042 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00254 Octanol/air (Koa) model: 0.27 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0839 Mackay model : 0.169 Octanol/air (Koa) model: 0.956 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 11.8437 E-12 cm3/molecule-sec Half-Life = 0.903 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.837 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.126 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 223.1 Log Koc: 2.349 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 = 1.519 (BCF = 33.03) log Kow used: 3.97 (estimated) Volatilization from Water: Henry LC: 2.07E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.492E+006 hours (1.872E+005 days) Half-Life from Model Lake : 4.901E+007 hours (2.042E+006 days) Removal In Wastewater Treatment: Total removal: 28.71 percent Total biodegradation: 0.31 percent Total sludge adsorption: 28.40 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 0.00166 21.7 1000 Water 11 900 1000 Soil 86.6 1.8e+003 1000 Sediment 2.42 8.1e+003 0 Persistence Time: 1.88e+003 hr
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