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2-Chloro-4H-naphtho[2,3-d][1,3,2]dioxaphosphinin-4-one
c1ccc2cc3c(cc2c1)C(=O)OP(O3)Cl
InChI=1S/C11H6ClO3P/c12-16-14-10-6-8-4-2-1-3-7(8)5-9(10)11(13)15-16/h1-6H
NEMNSNDPEONERP-UHFFFAOYSA-N
CSID:13273493, http://www.chemspider.com/Chemical-Structure.13273493.html (accessed 04:51, Jul 6, 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) = 1.49 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 395.26 (Adapted Stein & Brown method) Melting Pt (deg C): 133.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.81E-007 (Modified Grain method) Subcooled liquid VP: 1.08E-005 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): 1213 log Kow used: 1.49 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.6557 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.34E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.414E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.49 (KowWin est) Log Kaw used: -5.019 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.509 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6273 Biowin2 (Non-Linear Model) : 0.3594 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6410 (weeks-months) Biowin4 (Primary Survey Model) : 3.4833 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0100 Biowin6 (MITI Non-Linear Model): 0.0172 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2635 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): 0.00144 Pa (1.08E-005 mm Hg) Log Koa (Koawin est ): 6.509 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00208 Octanol/air (Koa) model: 7.93E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.07 Mackay model : 0.143 Octanol/air (Koa) model: 6.34E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.6226 E-12 cm3/molecule-sec Half-Life = 0.685 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.216 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.106 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3447 Log Koc: 3.537 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 = 0.450 (BCF = 2.82) log Kow used: 1.49 (estimated) Volatilization from Water: Henry LC: 2.34E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3978 hours (165.8 days) Half-Life from Model Lake : 4.353E+004 hours (1814 days) Removal In Wastewater Treatment: Total removal: 1.98 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.88 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.732 16.4 1000 Water 39.3 900 1000 Soil 59.9 1.8e+003 1000 Sediment 0.0987 8.1e+003 0 Persistence Time: 765 hr
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