ChemSpider 2D Image | Imiprothrin | C17H22N2O4

Imiprothrin

  • Molecular FormulaC17H22N2O4
  • Average mass318.368 Da
  • Monoisotopic mass318.157959 Da
  • ChemSpider ID110211

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

[2,5-Dioxo-3-(2-propin-1-yl)-1-imidazolidinyl]methyl-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropancarboxylat [German] [ACD/IUPAC Name]
[2,5-Dioxo-3-(2-propyn-1-yl)-1-imidazolidinyl]methyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate [ACD/IUPAC Name]
[2,5-Dioxo-3-(2-propynyl)-1-imidazolidinyl]methyl 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
[2,5-Dioxo-3-(prop-2-in-1-yl)imidazolidin-1-yl]methyl-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropancarboxylat
[2,5-Dioxo-3-(prop-2-yn-1-yl)imidazolidin-1-yl]methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
2,2-Diméthyl-3-(2-méthyl-1-propén-1-yl)cyclopropanecarboxylate de [2,5-dioxo-3-(2-propyn-1-yl)-1-imidazolidinyl]méthyle [French] [ACD/IUPAC Name]
2,2-Diméthyl-3-(2-méthyl-1-propèn-1-yl)cyclopropanecarboxylate de [2,5-dioxo-3-(2-propyn-1-yl)-1-imidazolidinyl]méthyle
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, [2,5-dioxo-3-(2-propyn-1-yl)-1-imidazolidinyl]methyl ester [ACD/Index Name]
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (2,5-dioxo-3-(2-propynyl)-1-imidazolidinyl)methyl ester
Imiprothrin [Wiki]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

S 41311 [DBID]
D01889 [DBID]
EPA Pesticide Chemical Code 004006 [DBID]
HSDB 7003 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 403.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 197.6±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 85.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 112.83
ACD/KOC (pH 5.5): 1025.05
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 112.83
ACD/KOC (pH 7.4): 1025.05
Polar Surface Area: 67 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 259.2±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) =  2.98
    Log Kow (Exper. database match) =  2.90
       Exper. Ref:  Tomlin,C (1997)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  469.93  (Adapted Stein & Brown method)
    Melting Pt (deg C):  198.55  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.57E-007  (Modified Grain method)
    MP  (exp database):  < 25 deg C
    VP  (exp database):  1.35E-08 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  31.96
       log Kow used: 2.90 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  93.5 mg/L (25 deg C)
        Exper. Ref:  TOMLIN,C (1997)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.1599 mg/L
    Wat Sol (Exper. database match) =  93.50
       Exper. Ref:  TOMLIN,C (1997)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.46E-010  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 6.05E-11  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.058E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.90  (exp database)
  Log Kaw used:  -8.607  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  11.507
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5862
   Biowin2 (Non-Linear Model)     :   0.6993
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4237  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4639  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3276
   Biowin6 (MITI Non-Linear Model):   0.0533
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2928
 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):  1.8E-006 Pa (1.35E-008 mm Hg)
  Log Koa (Koawin est  ): 11.507
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.67 
       Octanol/air (Koa) model:  0.0789 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.984 
       Mackay model           :  0.993 
       Octanol/air (Koa) model:  0.863 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 108.3780 E-12 cm3/molecule-sec
      Half-Life =     0.099 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.184 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    43.002998 E-17 cm3/molecule-sec
      Half-Life =     0.027 Days (at 7E11 mol/cm3)
      Half-Life =     38.375 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 0.988 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  786.2
      Log Koc:  2.896 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  8.819E-002  L/mol-sec
  Kb Half-Life at pH 8:      90.967  days   
  Kb Half-Life at pH 7:       2.491  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = -0.117 (BCF = 0.7638)
       log Kow used: 2.90 (expkow database)

 Volatilization from Water:
    Henry LC:  6.05E-011 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 1.727E+007  hours   (7.195E+005 days)
    Half-Life from Model Lake : 1.884E+008  hours   (7.849E+006 days)

 Removal In Wastewater Treatment:
    Total removal:               4.92  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     4.81  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       0.000509        0.504        1000       
   Water     13.4            900          1000       
   Soil      86.3            1.8e+003     1000       
   Sediment  0.245           8.1e+003     0          
     Persistence Time: 1.73e+003 hr




                    

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