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1,8-Dimethoxy-3-methyl-9,10-anthraquinone
Cc1cc2c(c(c1)OC)C(=O)c3c(cccc3OC)C2=O
InChI=1S/C17H14O4/c1-9-7-11-15(13(8-9)21-3)17(19)14-10(16(11)18)5-4-6-12(14)20-2/h4-8H,1-3H3
LODCICIWBUFMMY-UHFFFAOYSA-N
CSID:164821, http://www.chemspider.com/Chemical-Structure.164821.html (accessed 05:41, Apr 26, 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) = 4.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 422.49 (Adapted Stein & Brown method) Melting Pt (deg C): 172.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.99E-008 (Modified Grain method) Subcooled liquid VP: 2.35E-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): 0.4168 log Kow used: 4.05 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.12089 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.23E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.229E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.05 (KowWin est) Log Kaw used: -9.299 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.349 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9453 Biowin2 (Non-Linear Model) : 0.9596 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3393 (weeks-months) Biowin4 (Primary Survey Model) : 3.4817 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5816 Biowin6 (MITI Non-Linear Model): 0.4098 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5997 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): 0.000313 Pa (2.35E-006 mm Hg) Log Koa (Koawin est ): 13.349 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00957 Octanol/air (Koa) model: 5.48 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.257 Mackay model : 0.434 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 31.6284 E-12 cm3/molecule-sec Half-Life = 0.338 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.058 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.345 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 158.8 Log Koc: 2.201 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 = 1.581 (BCF = 38.12) log Kow used: 4.05 (estimated) Volatilization from Water: Henry LC: 1.23E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.998E+007 hours (3.332E+006 days) Half-Life from Model Lake : 8.725E+008 hours (3.635E+007 days) Removal In Wastewater Treatment: Total removal: 32.40 percent Total biodegradation: 0.34 percent Total sludge adsorption: 32.06 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 0.000128 8.12 1000 Water 10.9 900 1000 Soil 86.2 1.8e+003 1000 Sediment 2.88 8.1e+003 0 Persistence Time: 1.9e+003 hr
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