ChemSpider 2D Image | DDMU | C14H9Cl3

DDMU

  • Molecular FormulaC14H9Cl3
  • Average mass283.580 Da
  • Monoisotopic mass281.976990 Da
  • ChemSpider ID88946

More details:

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

1,1'-(2-Chlor-1,1-ethendiyl)bis(4-chlorbenzol) [German] [ACD/IUPAC Name]
1,1'-(2-Chloro-1,1-ethenediyl)bis(4-chlorobenzene) [ACD/IUPAC Name]
1,1'-(2-Chloro-1,1-éthènediyl)bis(4-chlorobenzène) [French] [ACD/IUPAC Name]
1,1'-(2-Chloroethene-1,1-diyl)bis(4-chlorobenzene)
1,1'-(chloroethenylidene)bis(4-chlorobenzene)
1022-22-6 [RN]
1-chloro-2,2-bis(4-chlorophenyl)ethylene
213-823-7 [EINECS]
2-Chloro-1,1-bis(4-chlorophenyl)-ethene
4,4'-DDMU
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1461623 [DBID]
BRN 1461623 [DBID]
C0430 [DBID]
C06637 [DBID]
NSC 46465 [DBID]
NSC46465 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 378.5±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.2±3.0 kJ/mol
Flash Point: 264.5±20.7 °C
Index of Refraction: 1.614
Molar Refractivity: 75.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 6.07
ACD/BCF (pH 5.5): 24075.62
ACD/KOC (pH 5.5): 47634.20
ACD/LogD (pH 7.4): 6.07
ACD/BCF (pH 7.4): 24075.62
ACD/KOC (pH 7.4): 47634.20
Polar Surface Area: 0 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 215.6±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) =  5.50

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  349.05  (Adapted Stein & Brown method)
    Melting Pt (deg C):  106.57  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.21E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000139 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):  0.305
       log Kow used: 5.50 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.13771 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.89E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.704E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.50  (KowWin est)
  Log Kaw used:  -2.699  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.199
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1363
   Biowin2 (Non-Linear Model)     :   0.0010
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9861  (months      )
   Biowin4 (Primary Survey Model) :   3.0073  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0462
   Biowin6 (MITI Non-Linear Model):   0.0032
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.8201
 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):  0.0185 Pa (0.000139 mm Hg)
  Log Koa (Koawin est  ): 8.199
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000162 
       Octanol/air (Koa) model:  3.88E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00581 
       Mackay model           :  0.0128 
       Octanol/air (Koa) model:  0.0031 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  20.8281 E-12 cm3/molecule-sec
      Half-Life =     0.514 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.162 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     3.603600 E-17 cm3/molecule-sec
      Half-Life =     0.318 Days (at 7E11 mol/cm3)
      Half-Life =      7.632 Hrs
   Fraction sorbed to airborne particulates (phi): 0.0093 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  9.66E+004
      Log Koc:  4.985 

 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 = 3.538 (BCF = 3448)
       log Kow used: 5.50 (estimated)

 Volatilization from Water:
    Henry LC:  4.89E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      21.88  hours
    Half-Life from Model Lake :      379.9  hours   (15.83 days)

 Removal In Wastewater Treatment:
    Total removal:              88.32  percent
    Total biodegradation:        0.74  percent
    Total sludge adsorption:    87.42  percent
    Total to Air:                0.16  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0896          4.71         1000       
   Water     5.06            1.44e+003    1000       
   Soil      51.5            2.88e+003    1000       
   Sediment  43.4            1.3e+004     0          
     Persistence Time: 2.69e+003 hr

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