ChemSpider 2D Image | 2-(2,3-Dimethylphenoxy)-N'-{(E)-[2-(trifluoromethyl)phenyl]methylene}acetohydrazide | C18H17F3N2O2

2-(2,3-Dimethylphenoxy)-N'-{(E)-[2-(trifluoromethyl)phenyl]methylene}acetohydrazide

  • Molecular FormulaC18H17F3N2O2
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5267292

  • Double-bond stereo - Double-bond stereo

More details:

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

2-(2,3-Dimethylphenoxy)-N'-{(E)-[2-(trifluormethyl)phenyl]methylen}acetohydrazid [German] [ACD/IUPAC Name]
2-(2,3-Dimethylphenoxy)-N'-{(E)-[2-(trifluoromethyl)phenyl]methylene}acetohydrazide [ACD/IUPAC Name]
2-(2,3-Diméthylphénoxy)-N'-{(E)-[2-(trifluorométhyl)phényl]méthylène}acétohydrazide [French] [ACD/IUPAC Name]
Acetic acid, 2-(2,3-dimethylphenoxy)-, 2-[(1E)-[2-(trifluoromethyl)phenyl]methylene]hydrazide [ACD/Index Name]
(2,3-Dimethyl-phenoxy)-acetic acid (2-trifluoromethyl-benzylidene)-hydrazide
2-(2,3-dimethylphenoxy)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
2-(2,3-DIMETHYLPHENOXY)-N-[[2-(TRIFLUOROMETHYL)PHENYL]METHYLIDENEAMINO]ACETAMIDE
2-(2,3-dimethylphenoxy)-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}acetohydrazide
394690-18-7 [RN]
Benzoic acid, 4-(aminomethyl)- (9CI) [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AK-968/40642499 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    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) =  4.67

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  457.15  (Adapted Stein & Brown method)
    Melting Pt (deg C):  192.11  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.76E-009  (Modified Grain method)
    Subcooled liquid VP: 3.26E-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):  0.6368
       log Kow used: 4.67 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.39832 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Hydrazines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.83E-010  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.170E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.67  (KowWin est)
  Log Kaw used:  -7.495  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.165
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3016
   Biowin2 (Non-Linear Model)     :   0.0143
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7042  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.0079  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0973
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3384
 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):  4.35E-005 Pa (3.26E-007 mm Hg)
  Log Koa (Koawin est  ): 12.165
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.069 
       Octanol/air (Koa) model:  0.359 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.714 
       Mackay model           :  0.847 
       Octanol/air (Koa) model:  0.966 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  76.2325 E-12 cm3/molecule-sec
      Half-Life =     0.140 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.684 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.78 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.731E+005
      Log Koc:  5.436 

 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 = 2.894 (BCF = 783.2)
       log Kow used: 4.67 (estimated)

 Volatilization from Water:
    Henry LC:  7.83E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:   1.4E+006  hours   (5.832E+004 days)
    Half-Life from Model Lake : 1.527E+007  hours   (6.362E+005 days)

 Removal In Wastewater Treatment:
    Total removal:              64.58  percent
    Total biodegradation:        0.58  percent
    Total sludge adsorption:    63.99  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       0.00448         3.37         1000       
   Water     3.67            4.32e+003    1000       
   Soil      87.9            8.64e+003    1000       
   Sediment  8.39            3.89e+004    0          
     Persistence Time: 7.94e+003 hr

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