ChemSpider 2D Image | (E)-1,2-Dichloro-1,2-difluoroethene | C2Cl2F2

(E)-1,2-Dichloro-1,2-difluoroethene

  • Molecular FormulaC2Cl2F2
  • Average mass132.924 Da
  • Monoisotopic mass131.934509 Da
  • ChemSpider ID2297331
  • Double-bond stereo - Double-bond stereo


More details:






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

(E)-1,2-Dichlor-1,2-difluorethen [German] [ACD/IUPAC Name]
(E)-1,2-Dichloro-1,2-difluoroethene [ACD/IUPAC Name]
(E)-1,2-Dichloro-1,2-difluoroéthène [French] [ACD/IUPAC Name]
Ethene, 1,2-dichloro-1,2-difluoro- [ACD/Index Name]
Ethene, 1,2-dichloro-1,2-difluoro-, (E)- [ACD/Index Name]
Ethylene, 1,2-dichloro-1,2-difluoro-
1,2-Dichloro-1,2-difluoro-ethene; 1,2-Difluoro-1,2-dichloro-ethylene; 1,2-Dichloro-1,2-difluoro-ethylene
1,2-Dichloro-1,2-difluoroethyl ene
1,2-DICHLORO-1,2-DIFLUOROETHYLENE
1,2-Dichlorodifluoroethylene
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD06246847 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 22.8±30.0 °C at 760 mmHg
Vapour Pressure: 821.1±0.0 mmHg at 25°C
Enthalpy of Vaporization: 25.8±3.0 kJ/mol
Flash Point: -41.9±18.0 °C
Index of Refraction: 1.393
Molar Refractivity: 21.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.59
ACD/KOC (pH 5.5): 448.77
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.59
ACD/KOC (pH 7.4): 448.77
Polar Surface Area: 0 Å2
Polarizability: 8.4±0.5 10-24cm3
Surface Tension: 20.1±3.0 dyne/cm
Molar Volume: 88.4±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) =  2.09

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  44.89  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -110.14  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  872  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -130.5 deg C
    BP  (exp database):  21.1 deg C
    VP  (exp database):  8.90E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1470
       log Kow used: 2.09 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2282.5 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 :   1.17E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.043E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.09  (KowWin est)
  Log Kaw used:  0.680  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.410
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4615
   Biowin2 (Non-Linear Model)     :   0.0701
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5591  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4547  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3536
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8068
 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):  1.19E+005 Pa (890 mm Hg)
  Log Koa (Koawin est  ): 1.410
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.53E-011 
       Octanol/air (Koa) model:  6.31E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.13E-010 
       Mackay model           :  2.02E-009 
       Octanol/air (Koa) model:  5.05E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.2139 E-12 cm3/molecule-sec
      Half-Life =    49.998 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.000573 E-17 cm3/molecule-sec
      Half-Life =  2001.493 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 1.47E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  106.8
      Log Koc:  2.029 

 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 = 0.909 (BCF = 8.112)
       log Kow used: 2.09 (estimated)

 Volatilization from Water:
    Henry LC:  0.117 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.182  hours
    Half-Life from Model Lake :      109.6  hours   (4.566 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              97.84  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.57  percent
    Total to Air:               97.25  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       50.3            1.17e+003    1000       
   Water     48.4            900          1000       
   Soil      1.07            1.8e+003     1000       
   Sediment  0.209           8.1e+003     0          
     Persistence Time: 162 hr




                    

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