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ChemSpider 2D Image | Aldicarb oxime | C5H11NOS

Aldicarb oxime

  • Molecular FormulaC5H11NOS
  • Average mass133.212 Da
  • Monoisotopic mass133.056137 Da
  • ChemSpider ID7844560

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E)-2-Methyl-2-(methylsulfanyl)propanaloxim
(1E)-2-Méthyl-2-(méthylsulfanyl)propanal-oxime
(1E)-2-methyl-2-(methylthio)propanal oxime
(1E)-N-Hydroxy-2-methyl-2-(methylsulfanyl)-1-propanimin [German] [ACD/IUPAC Name]
(1E)-N-Hydroxy-2-methyl-2-(methylsulfanyl)-1-propanimine [ACD/IUPAC Name]
(1E)-N-Hydroxy-2-méthyl-2-(méthylsulfanyl)-1-propanimine [French] [ACD/IUPAC Name]
(1E)-N-hydroxy-2-methyl-2-(methylsulfanyl)propan-1-imine
1646-75-9 [RN]
216-709-5 [EINECS]
Aldicarb oxime
More...

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

44OY94U09A [DBID]
CCRIS 660 [DBID]
HSDB 5848 [DBID]
UNII:44OY94U09A [DBID]
UNII-44OY94U09A [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 210.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 49.2±6.0 kJ/mol
Flash Point: 81.1±22.6 °C
Index of Refraction: 1.477
Molar Refractivity: 37.3±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.71
ACD/KOC (pH 5.5): 150.18
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.71
ACD/KOC (pH 7.4): 150.14
Polar Surface Area: 58 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 32.4±7.0 dyne/cm
Molar Volume: 131.9±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) =  0.75

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  221.03  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -8.28  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0402  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  21 deg C
    BP  (exp database):  210 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.036e+004
       log Kow used: 0.75 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3548.1 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.10E-007  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.461E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.75  (KowWin est)
  Log Kaw used:  -5.347  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.097
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5002
   Biowin2 (Non-Linear Model)     :   0.3530
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6927  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5021  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3340
   Biowin6 (MITI Non-Linear Model):   0.2764
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0973
 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):  4.85 Pa (0.0364 mm Hg)
  Log Koa (Koawin est  ): 6.097
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.18E-007 
       Octanol/air (Koa) model:  3.07E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.23E-005 
       Mackay model           :  4.94E-005 
       Octanol/air (Koa) model:  2.46E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.4816 E-12 cm3/molecule-sec
      Half-Life =     1.951 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    23.415 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.59E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  354
      Log Koc:  2.549 

 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 = 0.500 (BCF = 3.162)
       log Kow used: 0.75 (estimated)

 Volatilization from Water:
    Henry LC:  1.1E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       6144  hours   (256 days)
    Half-Life from Model Lake : 6.713E+004  hours   (2797 days)

 Removal In Wastewater Treatment:
    Total removal:               1.88  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.78  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.966           46.8         1000       
   Water     46.2            900          1000       
   Soil      52.8            1.8e+003     1000       
   Sediment  0.0935          8.1e+003     0          
     Persistence Time: 794 hr

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