ChemSpider 2D Image | Metofluthrin | C18H20F4O3

Metofluthrin

  • Molecular FormulaC18H20F4O3
  • Average mass360.343 Da
  • Monoisotopic mass360.134857 Da
  • ChemSpider ID570989

More details:

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

[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(1-propenyl)cyclopropanecarboxylate
2,2-Diméthyl-3-(1-propén-1-yl)cyclopropanecarboxylate de 2,3,5,6-tétrafluoro-4-(méthoxyméthyl)benzyle [French] [ACD/IUPAC Name]
2,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(1-propen-1-yl)cyclopropancarboxylat [German] [ACD/IUPAC Name]
2,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl (EZ)-(1RS,3RS;1RS,3SR)-2,2-dimethyl-3-prop-1-enylcyclopropanecarboxylate
2,3,5,6-Tetrafluoro-4-(methoxymethyl)benzyl 2,2-dimethyl-3-(1-propen-1-yl)cyclopropanecarboxylate [ACD/IUPAC Name]
2,3,5,6-Tetrafluoro-4-(methoxymethyl)benzyl 2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropanecarboxylate
240494-70-6 [RN]
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(1-propen-1-yl)-, [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl ester [ACD/Index Name]
eminence
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  • Miscellaneous

    • Safety:

      Treat as potentially harmful. OU Chemical Safety Data (No longer updated) More details

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

Density: 1.3±0.1 g/cm3
Boiling Point: 336.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.9±3.0 kJ/mol
Flash Point: 152.0±22.8 °C
Index of Refraction: 1.519
Molar Refractivity: 85.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3297.66
ACD/KOC (pH 5.5): 11479.58
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3297.66
ACD/KOC (pH 7.4): 11479.58
Polar Surface Area: 36 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 281.9±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) =  5.52

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  345.97  (Adapted Stein & Brown method)
    Melting Pt (deg C):  117.18  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.01E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000164 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.1043
       log Kow used: 5.52 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.8419 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.56E-007  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.137E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.52  (KowWin est)
  Log Kaw used:  -4.408  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.928
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -3.0211
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.6945  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.4475  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0499
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0153
 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):  0.0219 Pa (0.000164 mm Hg)
  Log Koa (Koawin est  ): 9.928
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000137 
       Octanol/air (Koa) model:  0.00208 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00493 
       Mackay model           :  0.0109 
       Octanol/air (Koa) model:  0.143 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  66.0241 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  73.6241 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.944 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.743 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 0.00789 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.818E+004
      Log Koc:  4.260 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  4.021E-002  L/mol-sec
  Kb Half-Life at pH 8:     199.518  days   
  Kb Half-Life at pH 7:       5.463  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.898 (BCF = 79.01)
       log Kow used: 5.52 (estimated)

 Volatilization from Water:
    Henry LC:  9.56E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1165  hours   (48.52 days)
    Half-Life from Model Lake : 1.286E+004  hours   (536 days)

 Removal In Wastewater Treatment:
    Total removal:              88.53  percent
    Total biodegradation:        0.75  percent
    Total sludge adsorption:    87.78  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       0.009           1.37         1000       
   Water     2.73            4.32e+003    1000       
   Soil      58.2            8.64e+003    1000       
   Sediment  39.1            3.89e+004    0          
     Persistence Time: 7.16e+003 hr

Click to predict properties on the Chemicalize site


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