Try beta.chemspider
5-Hydroxy-2,2,11-trimethyl-2,3,4,11-tetrahydro-6H-pyrano[3,2-b]acridin-6-one
CC1(CCc2c(cc3c(c2O)c(=O)c4ccccc4n3C)O1)C
InChI=1S/C19H19NO3/c1-19(2)9-8-12-15(23-19)10-14-16(18(12)22)17(21)11-6-4-5-7-13(11)20(14)3/h4-7,10,22H,8-9H2,1-3H3
SZWNSXCRIFJLPP-UHFFFAOYSA-N
CSID:142358, http://www.chemspider.com/Chemical-Structure.142358.html (accessed 03:58, May 8, 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) = 4.06 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 448.91 (Adapted Stein & Brown method) Melting Pt (deg C): 188.73 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.68E-009 (Modified Grain method) Subcooled liquid VP: 8.72E-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): 0.2886 log Kow used: 4.06 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.14493 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.11E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.370E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.06 (KowWin est) Log Kaw used: -7.896 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.956 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5203 Biowin2 (Non-Linear Model) : 0.1141 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9495 (months ) Biowin4 (Primary Survey Model) : 2.9860 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1581 Biowin6 (MITI Non-Linear Model): 0.0314 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6638 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): 1.16E-005 Pa (8.72E-008 mm Hg) Log Koa (Koawin est ): 11.956 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.258 Octanol/air (Koa) model: 0.222 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.903 Mackay model : 0.954 Octanol/air (Koa) model: 0.947 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 207.5265 E-12 cm3/molecule-sec Half-Life = 0.052 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.618 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.928 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4179 Log Koc: 3.621 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 = 1.583 (BCF = 38.3) log Kow used: 4.06 (estimated) Volatilization from Water: Henry LC: 3.11E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.311E+006 hours (1.38E+005 days) Half-Life from Model Lake : 3.612E+007 hours (1.505E+006 days) Removal In Wastewater Treatment: Total removal: 32.88 percent Total biodegradation: 0.34 percent Total sludge adsorption: 32.54 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 0.0123 1.24 1000 Water 10.2 1.44e+003 1000 Soil 86.3 2.88e+003 1000 Sediment 3.52 1.3e+004 0 Persistence Time: 2.32e+003 hr
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