ChemSpider 2D Image | (E)-N-Hydroxy-1-(3-iodo-4,5-dimethoxyphenyl)methanimine | C9H10INO3

(E)-N-Hydroxy-1-(3-iodo-4,5-dimethoxyphenyl)methanimine

  • Molecular FormulaC9H10INO3
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5267505
  • Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(E)-N-Hydroxy-1-(3-iod-4,5-dimethoxyphenyl)methanimin [German] [ACD/IUPAC Name]
(E)-N-Hydroxy-1-(3-iodo-4,5-dimethoxyphenyl)methanimine [ACD/IUPAC Name]
(E)-N-Hydroxy-1-(3-iodo-4,5-diméthoxyphényl)méthanimine [French] [ACD/IUPAC Name]
Benzaldehyde, 3-iodo-4,5-dimethoxy-, oxime [ACD/Index Name]
(hydroxyimino)(3-iodo-4,5-dimethoxyphenyl)methane
(NE)-N-[(3-iodo-4,5-dimethoxyphenyl)methylidene]hydroxylamine
179943-12-5 [RN]
3-iodo-4,5-dimethoxybenzaldehyde oxime
3-Iodo-4,5-dimethoxy-benzaldehyde oxime

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AK-968/40710169 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    No predicted properties have been calculated for this compound.

    Predicted data is generated using the US Environmental Protection Agency�s EPISuite™

                            
     Log Octanol-Water Partition Coef (SRC):
        Log Kow (KOWWIN v1.67 estimate) =  2.68
    
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  363.13  (Adapted Stein & Brown method)
        Melting Pt (deg C):  113.18  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  2.96E-007  (Modified Grain method)
        Subcooled liquid VP: 2.19E-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):  57.64
           log Kow used: 2.68 (estimated)
           no-melting pt equation used
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  11.698 mg/L
    
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Aliphatic Amines
    
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   2.90E-010  atm-m3/mole
       Group Method:   Incomplete
     Henrys LC [VP/WSol estimate using EPI values]:  2.075E-009 atm-m3/mole
    
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  2.68  (KowWin est)
      Log Kaw used:  -7.926  (HenryWin est)
          Log Koa (KOAWIN v1.10 estimate):  10.606
          Log Koa (experimental database):  None
    
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   0.1065
       Biowin2 (Non-Linear Model)     :   0.0010
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   2.3594  (weeks-months)
       Biowin4 (Primary Survey Model) :   3.4319  (days-weeks  )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :  -0.1875
       Biowin6 (MITI Non-Linear Model):   0.0000
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model):  0.8752
     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):  0.000292 Pa (2.19E-006 mm Hg)
      Log Koa (Koawin est  ): 10.606
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  0.0103 
           Octanol/air (Koa) model:  0.00991 
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  0.271 
           Mackay model           :  0.451 
           Octanol/air (Koa) model:  0.442 
    
     Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
       Hydroxyl Radicals Reaction:
          OVERALL OH Rate Constant =  32.6956 E-12 cm3/molecule-sec
          Half-Life =     0.327 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =     3.926 Hrs
       Ozone Reaction:
          No Ozone Reaction Estimation
       Fraction sorbed to airborne particulates (phi): 0.361 (Junge,Mackay)
        Note: the sorbed fraction may be resistant to atmospheric oxidation
    
     Soil Adsorption Coefficient (PCKOCWIN v1.66):
          Koc    :  816.7
          Log Koc:  2.912 
    
     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 = 1.362 (BCF = 23.01)
           log Kow used: 2.68 (estimated)
    
     Volatilization from Water:
        Henry LC:  2.9E-010 atm-m3/mole  (estimated by Bond SAR Method)
        Half-Life from Model River: 3.538E+006  hours   (1.474E+005 days)
        Half-Life from Model Lake :  3.86E+007  hours   (1.608E+006 days)
    
     Removal In Wastewater Treatment:
        Total removal:               3.73  percent
        Total biodegradation:        0.11  percent
        Total sludge adsorption:     3.62  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       0.00323         7.85         1000       
       Water     14.6            900          1000       
       Soil      85.2            1.8e+003     1000       
       Sediment  0.169           8.1e+003     0          
         Persistence Time: 1.7e+003 hr
    
    
    
    
                        

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