Try beta.chemspider
10H-Phenoxazine
c1ccc2c(c1)Nc3ccccc3O2
InChI=1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
TZMSYXZUNZXBOL-UHFFFAOYSA-N
CSID:60610, http://www.chemspider.com/Chemical-Structure.60610.html (accessed 14:12, May 11, 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) = 3.58 Log Kow (Exper. database match) = 3.85 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 317.82 (Adapted Stein & Brown method) Melting Pt (deg C): 100.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.45E-005 (Modified Grain method) MP (exp database): 156 deg C Subcooled liquid VP: 0.000754 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): 2.125 log Kow used: 3.85 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 12.096 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.04E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.914E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.85 (exp database) Log Kaw used: -5.371 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.221 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5585 Biowin2 (Non-Linear Model) : 0.6788 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6012 (weeks-months) Biowin4 (Primary Survey Model) : 3.5521 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2704 Biowin6 (MITI Non-Linear Model): 0.1537 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0272 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): 0.101 Pa (0.000754 mm Hg) Log Koa (Koawin est ): 9.221 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.98E-005 Octanol/air (Koa) model: 0.000408 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00108 Mackay model : 0.00238 Octanol/air (Koa) model: 0.0316 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 200.0000 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.642 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00173 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3410 Log Koc: 3.533 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 = 2.264 (BCF = 183.9) log Kow used: 3.85 (expkow database) Volatilization from Water: Henry LC: 1.04E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7621 hours (317.6 days) Half-Life from Model Lake : 8.326E+004 hours (3469 days) Removal In Wastewater Treatment: Total removal: 23.72 percent Total biodegradation: 0.27 percent Total sludge adsorption: 23.45 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 0.0522 1.28 1000 Water 17 900 1000 Soil 80.1 1.8e+003 1000 Sediment 2.82 8.1e+003 0 Persistence Time: 1.11e+003 hr
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