ChemSpider 2D Image | Oxamyl | C7H13N3O3S


  • Molecular FormulaC7H13N3O3S
  • Average mass219.261 Da
  • Monoisotopic mass219.067764 Da
  • ChemSpider ID29356

More details:

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

2-(Diméthylamino)-N-[(méthylcarbamoyl)oxy]-2-oxoéthanimidothioate de méthyle
2-(Diméthylamino)-N-[(méthylcarbamoyl)oxy]-2-oxoéthanimidothioate de méthyle [French] [ACD/IUPAC Name]
23135-22-0 [RN]
Ethanimidothioic acid, 2-(dimethylamino)-N-[[(methylamino)carbonyl]oxy]-2-oxo-, methyl ester [ACD/Index Name]
Insecticide-nematocide 1410
Methyl 2-(dimethylamino)-N-[(methylcarbamoyl)oxy]-2-oxoethanimidothioate [ACD/IUPAC Name]
Methyl-2-(dimethylamino)-N-[(methylcarbamoyl)oxy]-2-oxoethanimidothioat [German] [ACD/IUPAC Name]
N',N'-Dimethyl-N-[(methylcarbamoyl)oxy]-1-thiooxamimidic Acid Methyl Ester
Oxamyl [Wiki]

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

D 1410 [DBID]
BRN 2050910 [DBID]
Caswell No. 561A [DBID]
D-1410 [DBID]
DPX 1410 [DBID]
EPA Pesticide Chemical Code 103801 [DBID]
HSDB 6453 [DBID]
NSC 379588 [DBID]
NSC379588 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.532
Molar Refractivity: 55.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.47
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.13
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.11
Polar Surface Area: 96 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 40.6±7.0 dyne/cm
Molar Volume: 177.6±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) =  -1.20
    Log Kow (Exper. database match) =  -0.47
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  333.58  (Adapted Stein & Brown method)
    Melting Pt (deg C):  94.99  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.86E-005  (Modified Grain method)
    MP  (exp database):  101 deg C
    VP  (exp database):  2.30E-04 mm Hg at 25 deg C
    Subcooled liquid VP: 0.0013 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4287
       log Kow used: -0.47 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2.8e+005 mg/L (25 deg C)
        Exper. Ref:  TOMLIN,C (1994)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8.4559e+005 mg/L
    Wat Sol (Exper. database match) =  280000.00
       Exper. Ref:  TOMLIN,C (1994)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.53E-011  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 2.37E-10  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  3.944E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.47  (exp database)
  Log Kaw used:  -8.014  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  7.544
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8533
   Biowin2 (Non-Linear Model)     :   0.9300
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6604  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7368  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1881
   Biowin6 (MITI Non-Linear Model):   0.0552
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0501
 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):  0.173 Pa (0.0013 mm Hg)
  Log Koa (Koawin est  ): 7.544
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.73E-005 
       Octanol/air (Koa) model:  8.59E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000625 
       Mackay model           :  0.00138 
       Octanol/air (Koa) model:  0.000687 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  22.5960 E-12 cm3/molecule-sec
      Half-Life =     0.473 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.680 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.001 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  10
      Log Koc:  1.000 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.750E-003  L/mol-sec
  Kb Half-Life at pH 8:      12.549  years  
  Kb Half-Life at pH 7:     125.485  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: -0.47 (expkow database)

 Volatilization from Water:
    Henry LC:  2.37E-010 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 3.658E+006  hours   (1.524E+005 days)
    Half-Life from Model Lake : 3.991E+007  hours   (1.663E+006 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  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       0.00331         11.4         1000       
   Water     46.3            900          1000       
   Soil      53.7            1.8e+003     1000       
   Sediment  0.0891          8.1e+003     0          
     Persistence Time: 973 hr


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