ChemSpider 2D Image | kresoxim-methyl | C18H19NO4

kresoxim-methyl

  • Molecular FormulaC18H19NO4
  • Average mass313.348 Da
  • Monoisotopic mass313.131409 Da
  • ChemSpider ID4813314

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
The Merck Index Online

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

(2E)-(Méthoxyimino){2-[(2-méthylphénoxy)méthyl]phényl}acétate de méthyle [ACD/IUPAC Name]
(2E)-(Méthoxyimino){2-[(2-méthylphénoxy)méthyl]phényl}acétate de méthyle [French] [ACD/IUPAC Name]
(E)-Methyl α-(methoxyimino)-2-[(2-methylphenoxy)methyl]benzeneacetate
143390-89-0 [RN]
1ONUYVO1&R B1OR B1 &&E Form [WLN]
607-310-0 [EINECS]
8330581 [Beilstein]
ANNEX I INDEX 607-310-00-0
Benzeneacetic acid, α-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (αE)- [ACD/Index Name]
kresoxim-methyl [BSI] [ISO]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

37899_RIEDEL [DBID]
C11017 [DBID]
HSDB 7020 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A carboxylic ester that is the methyl ester of (2<stereo>E</stereo>)-(methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}acetic acid. A fungicide for the control of scab on apples and pears and other fun gal diseases on a wide range of crops. ChEBI CHEBI:2962
      A carboxylic ester that is the methyl ester of (2E)-(methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}acetic acid. A fungicide for the control of scab on apples and pears and other fun; gal diseases on a wide range of crops. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:2962
      A carboxylic ester that is the methyl ester of (2E)-(methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}acetic acid. A fungicide for the control of scab on apples and pears and other fungal diseases on a wide range of crops. ChEBI CHEBI:2962

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

Density: 1.1±0.1 g/cm3
Boiling Point: 429.4±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 171.2±23.7 °C
Index of Refraction: 1.531
Molar Refractivity: 87.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 643.19
ACD/KOC (pH 5.5): 3562.96
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 643.19
ACD/KOC (pH 7.4): 3562.96
Polar Surface Area: 57 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 36.8±7.0 dyne/cm
Molar Volume: 284.2±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) =  5.88
    Log Kow (Exper. database match) =  3.40
       Exper. Ref:  Tomlin,C (1997)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  404.17  (Adapted Stein & Brown method)
    Melting Pt (deg C):  137.43  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.26E-006  (Modified Grain method)
    MP  (exp database):  99 deg C
    VP  (exp database):  1.72E-08 mm Hg at 20 deg C
    Subcooled liquid VP: 9.28E-008 mm Hg (20 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  12.8
       log Kow used: 3.40 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2 mg/L (20 deg C)
        Exper. Ref:  TOMLIN,C (1997)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.099188 mg/L
    Wat Sol (Exper. database match) =  2.00
       Exper. Ref:  TOMLIN,C (1997)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.86E-008  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 3.55E-09  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  4.059E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.40  (exp database)
  Log Kaw used:  -6.838  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  10.238
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9591
   Biowin2 (Non-Linear Model)     :   0.9958
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5139  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6332  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3712
   Biowin6 (MITI Non-Linear Model):   0.1723
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1157
 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):  1.24E-005 Pa (9.28E-008 mm Hg)
  Log Koa (Koawin est  ): 10.238
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.242 
       Octanol/air (Koa) model:  0.00425 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.898 
       Mackay model           :  0.951 
       Octanol/air (Koa) model:  0.254 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  38.2488 E-12 cm3/molecule-sec
      Half-Life =     0.280 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.356 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.924 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  4.071E+004
      Log Koc:  4.610 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  2.838E-004  L/mol-sec
  Kb Half-Life at pH 8:      77.391  years  
  Kb Half-Life at pH 7:     773.912  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.918 (BCF = 82.79)
       log Kow used: 3.40 (expkow database)

 Volatilization from Water:
    Henry LC:  3.55E-009 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:  2.92E+005  hours   (1.216E+004 days)
    Half-Life from Model Lake : 3.185E+006  hours   (1.327E+005 days)

 Removal In Wastewater Treatment:
    Total removal:              10.95  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    10.78  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       0.0252          6.71         1000       
   Water     12.4            900          1000       
   Soil      86.9            1.8e+003     1000       
   Sediment  0.707           8.1e+003     0          
     Persistence Time: 1.72e+003 hr

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