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(2-Aminophenyl)(phenyl)methanol
c1ccc(cc1)C(c2ccccc2N)O
InChI=1S/C13H13NO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,13,15H,14H2
NAWYZLGDGZTAPN-UHFFFAOYSA-N
CSID:238197, http://www.chemspider.com/Chemical-Structure.238197.html (accessed 08:10, May 27, 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) = 1.79 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 357.53 (Adapted Stein & Brown method) Melting Pt (deg C): 115.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.01E-007 (Modified Grain method) Subcooled liquid VP: 3.17E-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): 1300 log Kow used: 1.79 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4314.6 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aromatic Amines Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.20E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.087E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.79 (KowWin est) Log Kaw used: -9.596 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.386 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7058 Biowin2 (Non-Linear Model) : 0.7666 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8059 (weeks ) Biowin4 (Primary Survey Model) : 3.5862 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1870 Biowin6 (MITI Non-Linear Model): 0.1086 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0834 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): 0.000423 Pa (3.17E-006 mm Hg) Log Koa (Koawin est ): 11.386 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0071 Octanol/air (Koa) model: 0.0597 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.204 Mackay model : 0.362 Octanol/air (Koa) model: 0.827 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 141.0947 E-12 cm3/molecule-sec Half-Life = 0.076 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.910 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.283 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 159.3 Log Koc: 2.202 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 = 0.030 (BCF = 1.073) log Kow used: 1.79 (estimated) Volatilization from Water: Henry LC: 6.2E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.333E+008 hours (5.554E+006 days) Half-Life from Model Lake : 1.454E+009 hours (6.059E+007 days) Removal In Wastewater Treatment: Total removal: 2.09 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.00 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 0.000158 1.82 1000 Water 25.3 360 1000 Soil 74.6 720 1000 Sediment 0.0731 3.24e+003 0 Persistence Time: 685 hr
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