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Search term: 719-32-4 (Found by approved synonym)
ChemSpider 2D Image | Perchloroterephthaloyl chloride | C8Cl6O2

Perchloroterephthaloyl chloride

  • Molecular FormulaC8Cl6O2
  • Average mass340.802 Da
  • Monoisotopic mass337.802948 Da
  • ChemSpider ID12337

More details:

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

1,4-Benzenedicarbonyl dichloride, 2,3,5,6-tetrachloro- [ACD/Index Name]
2,3,5,6-Tetrachloro-1,4-benzenedicarbonyl dichloride
2,3,5,6-tetrachlorobenzene-1,4-dicarbonyl dichloride
2,3,5,6-Tetrachloroterephthaloyl chloride
2,3,5,6-Tetrachloroterephthaloyl dichloride [ACD/IUPAC Name]
2,3,5,6-Tetrachlorterephthaloyldichlorid [German] [ACD/IUPAC Name]
211-947-6 [EINECS]
719-32-4 [RN]
Dichlorure de 2,3,5,6-tétrachlorotéréphtaloyle [French] [ACD/IUPAC Name]
MFCD00018801 [MDL number]
More...

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

CM96O90UX1 [DBID]
HSDB 5749 [DBID]
NSC141495 [DBID]
UNII:CM96O90UX1 [DBID]
UNII-CM96O90UX1 [DBID]

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 382.8±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.1±3.0 kJ/mol
    Flash Point: 161.9±28.5 °C
    Index of Refraction: 1.615
    Molar Refractivity: 66.3±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.76
    ACD/LogD (pH 5.5): 3.91
    ACD/BCF (pH 5.5): 554.33
    ACD/KOC (pH 5.5): 3203.26
    ACD/LogD (pH 7.4): 3.91
    ACD/BCF (pH 7.4): 554.33
    ACD/KOC (pH 7.4): 3203.26
    Polar Surface Area: 34 Å2
    Polarizability: 26.3±0.5 10-24cm3
    Surface Tension: 55.4±3.0 dyne/cm
    Molar Volume: 190.1±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) =  3.46

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  364.61  (Adapted Stein & Brown method)
    Melting Pt (deg C):  134.42  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.72E-006  (Modified Grain method)
    Subcooled liquid VP: 5.93E-005 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):  7.84
       log Kow used: 3.46 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  104.02 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Acid Chloride/Halide

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.70E-007  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.700E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.46  (KowWin est)
  Log Kaw used:  -4.402  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.862
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.1444
   Biowin2 (Non-Linear Model)     :   0.0001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.6196  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.6947  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2771
   Biowin6 (MITI Non-Linear Model):   0.0003
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7730
 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):  0.00791 Pa (5.93E-005 mm Hg)
  Log Koa (Koawin est  ): 7.862
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000379 
       Octanol/air (Koa) model:  1.79E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0135 
       Mackay model           :  0.0295 
       Octanol/air (Koa) model:  0.00143 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0316 E-12 cm3/molecule-sec
      Half-Life =   338.424 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0215 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  125.1
      Log Koc:  2.097 

 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 = 1.963 (BCF = 91.76)
       log Kow used: 3.46 (estimated)

 Volatilization from Water:
    Henry LC:  9.7E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1116  hours   (46.51 days)
    Half-Life from Model Lake : 1.233E+004  hours   (513.8 days)

 Removal In Wastewater Treatment:
    Total removal:              12.20  percent
    Total biodegradation:        0.18  percent
    Total sludge adsorption:    11.97  percent
    Total to Air:                0.05  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.516           8.12e+003    1000       
   Water     6.88            4.32e+003    1000       
   Soil      91.9            8.64e+003    1000       
   Sediment  0.67            3.89e+004    0          
     Persistence Time: 4.86e+003 hr

    Click to predict properties on the Chemicalize site


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