ChemSpider 2D Image | dimoxystrobin | C19H22N2O3

dimoxystrobin

  • Molecular FormulaC19H22N2O3
  • Average mass326.390 Da
  • Monoisotopic mass326.163055 Da
  • ChemSpider ID9111528
  • Double-bond stereo - Double-bond stereo


More details:



Featured data source



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

(2E)-2-{2-[(2,5-Dimethylphenoxy)methyl]phenyl}-2-(methoxyimino)-N-methylacetamid [German] [ACD/IUPAC Name]
(2E)-2-{2-[(2,5-Dimethylphenoxy)methyl]phenyl}-2-(methoxyimino)-N-methylacetamide [ACD/IUPAC Name]
(2E)-2-{2-[(2,5-Diméthylphénoxy)méthyl]phényl}-2-(méthoxyimino)-N-méthylacétamide [French] [ACD/IUPAC Name]
(2E)-2-{2-[(2,5-dimethylphenoxy)methyl]phenyl}-2-(methoxyimino)-N-methylethanamide
(aE)-2-[(2,5-Dimethylphenoxy)methyl]-a-(methoxyimino)-N-methylbenzeneacetamide
149961-52-4 [RN]
1ONUYVM1&R B1OR B1 E1 &&E Form [WLN]
27J9BR16KU
Benzeneacetamide, 2-[(2,5-dimethylphenoxy)methyl]-α-(methoxyimino)-N-methyl-, (αE)- [ACD/Index Name]
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  • Miscellaneous
    • Chemical Class:

      A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2<stereo>E</stereo>)-{2-[(2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)acetic acid with the amino group of methy lamine. A fungicide used for disease control in cereals, vegetables and turf. ChEBI CHEBI:83218
      A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2E)-{2-[(2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)acetic acid with the amino group of methy; lamine. A fungi cide used for disease control in cereals, vegetables and turf. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83218

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.544
Molar Refractivity: 94.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 909.27
ACD/KOC (pH 5.5): 4564.90
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 909.15
ACD/KOC (pH 7.4): 4564.32
Polar Surface Area: 60 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 36.6±7.0 dyne/cm
Molar Volume: 297.6±7.0 cm3

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

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  5.36

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  485.83  (Adapted Stein & Brown method)
    Melting Pt (deg C):  205.98  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.58E-010  (Modified Grain method)
    Subcooled liquid VP: 6.25E-008 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):  0.2281
       log Kow used: 5.36 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.63995 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.43E-012  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.427E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.36  (KowWin est)
  Log Kaw used:  -9.742  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.102
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0436
   Biowin2 (Non-Linear Model)     :   0.9887
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2158  (months      )
   Biowin4 (Primary Survey Model) :   3.5223  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1485
   Biowin6 (MITI Non-Linear Model):   0.0349
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.1318
 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):  8.33E-006 Pa (6.25E-008 mm Hg)
  Log Koa (Koawin est  ): 15.102
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.36 
       Octanol/air (Koa) model:  310 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.929 
       Mackay model           :  0.966 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  86.6816 E-12 cm3/molecule-sec
      Half-Life =     0.123 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.481 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.948 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.558E+005
      Log Koc:  5.193 

 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 = 3.425 (BCF = 2663)
       log Kow used: 5.36 (estimated)

 Volatilization from Water:
    Henry LC:  4.43E-012 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.388E+008  hours   (9.949E+006 days)
    Half-Life from Model Lake : 2.605E+009  hours   (1.085E+008 days)

 Removal In Wastewater Treatment:
    Total removal:              86.24  percent
    Total biodegradation:        0.73  percent
    Total sludge adsorption:    85.51  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       0.000301        2.96         1000       
   Water     4.65            1.44e+003    1000       
   Soil      65.1            2.88e+003    1000       
   Sediment  30.3            1.3e+004     0          
     Persistence Time: 4.02e+003 hr




                    

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