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Search term: C17H13Cl2NO4 (Found by molecular formula)
ChemSpider 2D Image | chlorazifop-propargyl | C17H13Cl2NO4

chlorazifop-propargyl

  • Molecular FormulaC17H13Cl2NO4
  • Average mass366.195 Da
  • Monoisotopic mass365.022156 Da
  • ChemSpider ID82813

More details:

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

2-{4-[(3,5-Dichloro-2-pyridinyl)oxy]phénoxy}propanoate de 2-propyn-1-yle [French] [ACD/IUPAC Name]
276-571-7 [EINECS]
2-Propin-1-yl-2-{4-[(3,5-dichlor-2-pyridinyl)oxy]phenoxy}propanoat [German] [ACD/IUPAC Name]
2-Propyn-1-yl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
2-Propyn-1-yl 2-{4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy}propanoate [ACD/IUPAC Name]
72280-52-5 [RN]
chlorazifop-propargyl
Prop-2-yn-1-yl 2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoate
Prop-2-ynyl 2-(4-((3,5-dichloro-2-pyridyl)oxy)phenoxy)propionate
Propanoic acid, 2-(4-((3,5-dichloro-2-pyridinyl)oxy)phenoxy)-, 2-propynyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CGA 82725 [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: 462.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.7±28.7 °C
Index of Refraction: 1.578
Molar Refractivity: 90.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 478.90
ACD/KOC (pH 5.5): 2884.85
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 478.90
ACD/KOC (pH 7.4): 2884.85
Polar Surface Area: 58 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 271.3±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) =  3.56

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  430.45  (Adapted Stein & Brown method)
    Melting Pt (deg C):  179.89  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.66E-008  (Modified Grain method)
    Subcooled liquid VP: 1.5E-006 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):  4.504
       log Kow used: 3.56 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  15.382 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.23E-010  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.916E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.56  (KowWin est)
  Log Kaw used:  -8.040  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.600
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4918
   Biowin2 (Non-Linear Model)     :   0.6716
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7865  (months      )
   Biowin4 (Primary Survey Model) :   3.3532  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3842
   Biowin6 (MITI Non-Linear Model):   0.0583
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4085
 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):  0.0002 Pa (1.5E-006 mm Hg)
  Log Koa (Koawin est  ): 11.600
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.015 
       Octanol/air (Koa) model:  0.0977 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.351 
       Mackay model           :  0.545 
       Octanol/air (Koa) model:  0.887 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  26.4744 E-12 cm3/molecule-sec
      Half-Life =     0.404 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.848 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.003000 E-17 cm3/molecule-sec
      Half-Life =   382.000 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 0.448 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.374E+004
      Log Koc:  4.138 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  4.590E+000  L/mol-sec
  Kb Half-Life at pH 8:       1.748  days   
  Kb Half-Life at pH 7:      17.478  days   

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.041 (BCF = 109.9)
       log Kow used: 3.56 (estimated)

 Volatilization from Water:
    Henry LC:  2.23E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.024E+006  hours   (2.093E+005 days)
    Half-Life from Model Lake : 5.481E+007  hours   (2.284E+006 days)

 Removal In Wastewater Treatment:
    Total removal:              14.47  percent
    Total biodegradation:        0.20  percent
    Total sludge adsorption:    14.27  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       0.00183         9.69         1000       
   Water     9.13            1.44e+003    1000       
   Soil      90              2.88e+003    1000       
   Sediment  0.915           1.3e+004     0          
     Persistence Time: 2.83e+003 hr

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