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Search term: 24725-65-3 (Found by approved synonym)
ChemSpider 2D Image | 4,5-Dichloro-2-(2,4-dichlorophenyl)-3(2H)-pyridazinone | C10H4Cl4N2O

4,5-Dichloro-2-(2,4-dichlorophenyl)-3(2H)-pyridazinone

  • Molecular FormulaC10H4Cl4N2O
  • Average mass309.964 Da
  • Monoisotopic mass307.907776 Da
  • ChemSpider ID2055243

More details:

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

24725-65-3 [RN]
3(2H)-Pyridazinone, 4,5-dichloro-2-(2,4-dichlorophenyl)- [ACD/Index Name]
4,5-Dichlor-2-(2,4-dichlorphenyl)-3(2H)-pyridazinon [German] [ACD/IUPAC Name]
4,5-Dichloro-2-(2,4-dichlorophenyl)-3(2H)-pyridazinone [ACD/IUPAC Name]
4,5-Dichloro-2-(2,4-dichlorophényl)-3(2H)-pyridazinone [French] [ACD/IUPAC Name]
4,5-Dichloro-2-(2,4-dichlorophenyl)pyridazin-3(2H)-one
[24725-65-3] [RN]
3(2H)-Pyridazinone,4,5-dichloro-2-(2,4-dichlorophenyl)-
4,5-DICHLORO-2-(2,4-DICHLOROPHENYL)-2,3-DIHYDROPYRIDAZIN-3-ONE
4,5-DICHLORO-2-(2,4-DICHLOROPHENYL)PYRIDAZIN-3-ONE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ZINC00153189 [DBID]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 378.5±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.6±3.0 kJ/mol
    Flash Point: 182.7±30.7 °C
    Index of Refraction: 1.671
    Molar Refractivity: 69.8±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.97
    ACD/LogD (pH 5.5): 3.36
    ACD/BCF (pH 5.5): 211.21
    ACD/KOC (pH 5.5): 1605.58
    ACD/LogD (pH 7.4): 3.36
    ACD/BCF (pH 7.4): 211.21
    ACD/KOC (pH 7.4): 1605.58
    Polar Surface Area: 33 Å2
    Polarizability: 27.7±0.5 10-24cm3
    Surface Tension: 53.9±7.0 dyne/cm
    Molar Volume: 186.6±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) =  3.95

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  405.26  (Adapted Stein & Brown method)
    Melting Pt (deg C):  168.34  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.05E-007  (Modified Grain method)
    Subcooled liquid VP: 6.19E-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):  4.512
       log Kow used: 3.95 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.478 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Hydrazines
       Vinyl/Allyl Halides

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.20E-008  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.853E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.95  (KowWin est)
  Log Kaw used:  -6.309  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.259
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0124
   Biowin2 (Non-Linear Model)     :   0.0001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7546  (months      )
   Biowin4 (Primary Survey Model) :   2.8686  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1584
   Biowin6 (MITI Non-Linear Model):   0.0004
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2446
 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):  0.000825 Pa (6.19E-006 mm Hg)
  Log Koa (Koawin est  ): 10.259
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00363 
       Octanol/air (Koa) model:  0.00446 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.116 
       Mackay model           :  0.225 
       Octanol/air (Koa) model:  0.263 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.6963 E-12 cm3/molecule-sec
      Half-Life =     2.278 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    27.330 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.023261 E-17 cm3/molecule-sec
      Half-Life =    49.268 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 0.171 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1952
      Log Koc:  3.291 

 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 = 2.344 (BCF = 220.9)
       log Kow used: 3.95 (estimated)

 Volatilization from Water:
    Henry LC:  1.2E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  8.59E+004  hours   (3579 days)
    Half-Life from Model Lake : 9.373E+005  hours   (3.905E+004 days)

 Removal In Wastewater Treatment:
    Total removal:              27.83  percent
    Total biodegradation:        0.30  percent
    Total sludge adsorption:    27.53  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       0.0585          52.3         1000       
   Water     8.89            1.44e+003    1000       
   Soil      88.7            2.88e+003    1000       
   Sediment  2.36            1.3e+004     0          
     Persistence Time: 2.77e+003 hr

    Click to predict properties on the Chemicalize site


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