ChemSpider 2D Image | methomyl | C5H10N2O2S

methomyl

  • Molecular FormulaC5H10N2O2S
  • Average mass162.210 Da
  • Monoisotopic mass162.046295 Da
  • ChemSpider ID3966

More details:






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

(1E)-N-[(Méthylcarbamoyl)oxy]éthanimidothioate de méthyle [French] [ACD/IUPAC Name]
16752-77-5 [RN]
1SY1&UNOVM1 [WLN]
240-815-0 [EINECS]
Ethanimidothioic acid, N-[[(methylamino)carbonyl]oxy]-, methyl ester, (1E)- [ACD/Index Name]
Lannate [Trade name]
methomyl [BSI] [ISO] [Wiki]
Methyl (1E)-N-[(methylcarbamoyl)oxy]ethanimidothioate [ACD/IUPAC Name]
Methyl N-[[(methylamino)carbonyl]oxy]ethanimidothioate
Methyl-(1E)-N-[(methylcarbamoyl)oxy]ethanimidothioat [German] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DivK1c_006638 [DBID]
KBio1_001582 [DBID]
KBio2_002446 [DBID]
KBio2_005014 [DBID]
KBio2_007582 [DBID]
KBio3_001961 [DBID]
KBioGR_001181 [DBID]
KBioSS_002453 [DBID]
SPBio_001744 [DBID]
SpecPlus_000542 [DBID]
More...
  • Miscellaneous
    • Chemical Class:

      A carbamate ester obtained by the formal condensation of methylcarbamic acid with the hydroxy group of 1-(methylsulfanyl)acetaldoxime. ChEBI CHEBI:6835

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: 1.509
Molar Refractivity: 41.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.60
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.55
ACD/KOC (pH 5.5): 47.53
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.55
ACD/KOC (pH 7.4): 47.53
Polar Surface Area: 76 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 36.3±7.0 dyne/cm
Molar Volume: 138.0±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) =  0.61
    Log Kow (Exper. database match) =  0.60
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  228.00  (Adapted Stein & Brown method)
    Melting Pt (deg C):  2.65  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0256  (Modified Grain method)
    MP  (exp database):  78 deg C
    VP  (exp database):  5.40E-06 mm Hg at 25 deg C
    Subcooled liquid VP: 1.81E-005 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):  2.055e+004
       log Kow used: 0.60 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  5.8e+004 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  24879 mg/L
    Wat Sol (Exper. database match) =  58000.00
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.02E-009  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 1.97E-11  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.659E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.60  (exp database)
  Log Kaw used:  -9.094  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  9.694
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6703
   Biowin2 (Non-Linear Model)     :   0.6694
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8407  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6137  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2308
   Biowin6 (MITI Non-Linear Model):   0.1092
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5974
 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):  0.00241 Pa (1.81E-005 mm Hg)
  Log Koa (Koawin est  ): 9.694
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00124 
       Octanol/air (Koa) model:  0.00121 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.043 
       Mackay model           :  0.0905 
       Octanol/air (Koa) model:  0.0885 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.6481 E-12 cm3/molecule-sec
      Half-Life =     1.609 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    19.307 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0667 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  12.01
      Log Koc:  1.079 

 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: 0.60 (expkow database)

 Volatilization from Water:
    Henry LC:  1.97E-011 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 3.785E+007  hours   (1.577E+006 days)
    Half-Life from Model Lake : 4.129E+008  hours   (1.721E+007 days)

 Removal In Wastewater Treatment:
    Total removal:               1.86  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  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       0.000454        38.6         1000       
   Water     37              360          1000       
   Soil      62.9            720          1000       
   Sediment  0.0703          3.24e+003    0          
     Persistence Time: 592 hr




                    

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