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6H-Dibenzo[c,h]chromen-6-one
O=C3Oc2c1ccccc1ccc2c4c3cccc4
InChI=1S/C17H10O2/c18-17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)19-17/h1-10H
LLWVLKBCZLXSNJ-UHFFFAOYSA-N
CSID:9451642, http://www.chemspider.com/Chemical-Structure.9451642.html (accessed 00:32, Apr 24, 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) = 3.16 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 440.41 (Adapted Stein & Brown method) Melting Pt (deg C): 164.45 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.12E-008 (Modified Grain method) Subcooled liquid VP: 8.49E-007 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): 3.83 log Kow used: 3.16 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.55315 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.37E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.640E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.16 (KowWin est) Log Kaw used: -4.748 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.908 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8045 Biowin2 (Non-Linear Model) : 0.9732 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7952 (weeks ) Biowin4 (Primary Survey Model) : 3.7214 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4054 Biowin6 (MITI Non-Linear Model): 0.2817 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0536 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): 0.000113 Pa (8.49E-007 mm Hg) Log Koa (Koawin est ): 7.908 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0265 Octanol/air (Koa) model: 1.99E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.489 Mackay model : 0.68 Octanol/air (Koa) model: 0.00159 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 24.0316 E-12 cm3/molecule-sec Half-Life = 0.445 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.341 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.584 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.917E+004 Log Koc: 4.283 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 = 1.736 (BCF = 54.41) log Kow used: 3.16 (estimated) Volatilization from Water: Henry LC: 4.37E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2104 hours (87.67 days) Half-Life from Model Lake : 2.309E+004 hours (961.9 days) Removal In Wastewater Treatment: Total removal: 7.33 percent Total biodegradation: 0.14 percent Total sludge adsorption: 7.17 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.676 10.7 1000 Water 22.5 360 1000 Soil 76.3 720 1000 Sediment 0.51 3.24e+003 0 Persistence Time: 526 hr
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