ChemSpider 2D Image | Carbendazim | C9H9N3O2


  • Molecular FormulaC9H9N3O2
  • Average mass191.187 Da
  • Monoisotopic mass191.069473 Da
  • ChemSpider ID23741

More details:

Featured data source

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

Carbendazim [BSI] [ISO] [Wiki]
10605-21-7 [RN]
1H-Benzimidazol-2-ylcarbamate de méthyle [French] [ACD/IUPAC Name]
2-(Methoxy-carbonylamino)-benzimidazol [German]
234-232-0 [EINECS]
Benzimidazole carbamate de methyle [French]
Carbamic acid, N-1H-benzimidazol-2-yl-, methyl ester [ACD/Index Name]
carbendazim [Portuguese]
carbendazol [Trade name]

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

649044 [DBID]
H75J14AA89 [DBID]
A 118 [DBID]
AIDS007897 [DBID]
AIDS-007897 [DBID]
BAS 3460 [DBID]
BAS-3460 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.711
    Molar Refractivity: 52.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.52
    ACD/LogD (pH 5.5): 1.04
    ACD/BCF (pH 5.5): 2.62
    ACD/KOC (pH 5.5): 47.30
    ACD/LogD (pH 7.4): 1.61
    ACD/BCF (pH 7.4): 9.70
    ACD/KOC (pH 7.4): 175.21
    Polar Surface Area: 67 Å2
    Polarizability: 20.9±0.5 10-24cm3
    Surface Tension: 69.4±3.0 dyne/cm
    Molar Volume: 134.5±3.0 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) =  1.55
        Log Kow (Exper. database match) =  1.52
           Exper. Ref:  Hansch,C et al. (1995)
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  404.73  (Adapted Stein & Brown method)
        Melting Pt (deg C):  149.71  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  5.44E-009  (Modified Grain method)
        MP  (exp database):  300 dec deg C
        VP  (exp database):  7.50E-10 mm Hg at 20 deg C
        Subcooled liquid VP: 3.93E-007 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):  2441
           log Kow used: 1.52 (expkow database)
           no-melting pt equation used
         Water Sol (Exper. database match) =  29 mg/L (24 deg C)
            Exper. Ref:  TOMLIN,C (1994) @ pH4
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  3112.4 mg/L
        Wat Sol (Exper. database match) =  29.00
           Exper. Ref:  TOMLIN,C (1994) @ pH4
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   1.49E-012  atm-m3/mole
       Group Method:   Incomplete
       Exper Database: 2.12E-11  atm-m3/mole
     Henrys LC [VP/WSol estimate using EPI values]:  5.606E-013 atm-m3/mole
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  1.52  (exp database)
      Log Kaw used:  -9.062  (exp database)
          Log Koa (KOAWIN v1.10 estimate):  10.582
          Log Koa (experimental database):  None
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   0.7361
       Biowin2 (Non-Linear Model)     :   0.7864
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   2.7300  (weeks-months)
       Biowin4 (Primary Survey Model) :   3.7655  (days        )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :   0.1332
       Biowin6 (MITI Non-Linear Model):   0.1116
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model):  0.3748
     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):  5.24E-005 Pa (3.93E-007 mm Hg)
      Log Koa (Koawin est  ): 10.582
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  0.0573 
           Octanol/air (Koa) model:  0.00938 
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  0.674 
           Mackay model           :  0.821 
           Octanol/air (Koa) model:  0.429 
     Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
       Hydroxyl Radicals Reaction:
          OVERALL OH Rate Constant = 200.6528 E-12 cm3/molecule-sec
          Half-Life =     0.053 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =     0.640 Hrs
       Ozone Reaction:
          No Ozone Reaction Estimation
       Fraction sorbed to airborne particulates (phi): 0.747 (Junge,Mackay)
        Note: the sorbed fraction may be resistant to atmospheric oxidation
     Soil Adsorption Coefficient (PCKOCWIN v1.66):
          Koc    :  175.8
          Log Koc:  2.245 
     Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
      Total Kb for pH > 8 at 25 deg C :  2.616E-004  L/mol-sec
      Kb Half-Life at pH 8:      83.944  years  
      Kb Half-Life at pH 7:     839.445  years  
     Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
       Log BCF from regression-based method = 0.470 (BCF = 2.954)
           log Kow used: 1.52 (expkow database)
     Volatilization from Water:
        Henry LC:  2.12E-011 atm-m3/mole  (Henry experimental database)
        Half-Life from Model River: 3.819E+007  hours   (1.591E+006 days)
        Half-Life from Model Lake : 4.166E+008  hours   (1.736E+007 days)
     Removal In Wastewater Treatment:
        Total removal:               1.98  percent
        Total biodegradation:        0.09  percent
        Total sludge adsorption:     1.89  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       0.00249         1.28         1000       
       Water     32.7            900          1000       
       Soil      67.2            1.8e+003     1000       
       Sediment  0.0836          8.1e+003     0          
         Persistence Time: 1.17e+003 hr

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