Try beta.chemspider
- Double-bond stereo
(2E)-2-(Hydroxyimino)-1,2-diphenylethanol
c1ccc(cc1)C(/C(=N/O)/c2ccccc2)O
InChI=1S/C14H13NO2/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11/h1-10,14,16-17H/b15-13+
WAKHLWOJMHVUJC-FYWRMAATSA-N
CSID:4510333, http://www.chemspider.com/Chemical-Structure.4510333.html (accessed 06:29, Apr 26, 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) = 2.59 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 392.18 (Adapted Stein & Brown method) Melting Pt (deg C): 116.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.03E-009 (Modified Grain method) MP (exp database): 151 deg C Subcooled liquid VP: 1.35E-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): 193.9 log Kow used: 2.59 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 82.189 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.40E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.084E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.59 (KowWin est) Log Kaw used: -10.242 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.832 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0543 Biowin2 (Non-Linear Model) : 0.9890 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9009 (weeks ) Biowin4 (Primary Survey Model) : 3.6591 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2696 Biowin6 (MITI Non-Linear Model): 0.1726 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4840 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): 1.8E-005 Pa (1.35E-007 mm Hg) Log Koa (Koawin est ): 12.832 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.167 Octanol/air (Koa) model: 1.67 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.858 Mackay model : 0.93 Octanol/air (Koa) model: 0.993 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.4134 E-12 cm3/molecule-sec Half-Life = 0.614 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.371 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.894 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3397 Log Koc: 3.531 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 = 0.643 (BCF = 4.396) log Kow used: 2.59 (estimated) Volatilization from Water: Henry LC: 1.4E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.304E+008 hours (2.627E+007 days) Half-Life from Model Lake : 6.878E+009 hours (2.866E+008 days) Removal In Wastewater Treatment: Total removal: 3.38 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.27 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 0.000428 14.7 1000 Water 18.2 360 1000 Soil 81.6 720 1000 Sediment 0.147 3.24e+003 0 Persistence Time: 758 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight