ChemSpider 2D Image | (Z)-1,2-Difluoroethene | C2H2F2

(Z)-1,2-Difluoroethene

  • Molecular FormulaC2H2F2
  • Average mass64.034 Da
  • Monoisotopic mass64.012459 Da
  • ChemSpider ID4575681

  • Double-bond stereo - Double-bond stereo

More details:

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

(Z)-1,2-Difluorethen [German] [ACD/IUPAC Name]
(Z)-1,2-Difluoroethene [ACD/IUPAC Name]
(Z)-1,2-Difluoroéthène [French] [ACD/IUPAC Name]
1630-77-9 [RN]
216-628-5 [EINECS]
cis-1,2-Difluoroethylene
Ethene, 1,2-difluoro-, (Z)- [ACD/Index Name]
"(Z)-1,2-DIFLUOROETHENE"
(Z)-1,2-difluoroethylene
(Z)-CHF=CHF
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: -36.0±8.0 °C at 760 mmHg
Vapour Pressure: 5881.4±0.0 mmHg at 25°C
Enthalpy of Vaporization: 21.0±3.0 kJ/mol
Flash Point: -64.7±6.3 °C
Index of Refraction: 1.283
Molar Refractivity: 11.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.91
ACD/KOC (pH 5.5): 108.74
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.91
ACD/KOC (pH 7.4): 108.74
Polar Surface Area: 0 Å2
Polarizability: 4.6±0.5 10-24cm3
Surface Tension: 10.2±3.0 dyne/cm
Molar Volume: 66.1±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) =  1.11

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -21.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -145.53  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.51E+003  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.557e+004
       log Kow used: 1.11 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  16391 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.26E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.112E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.11  (KowWin est)
  Log Kaw used:  0.966  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  0.144
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7171
   Biowin2 (Non-Linear Model)     :   0.8908
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0577  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7554  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5688
   Biowin6 (MITI Non-Linear Model):   0.0007
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6890
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  4.41E+005 Pa (3.31E+003 mm Hg)
  Log Koa (Koawin est  ): 0.144
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.8E-012 
       Octanol/air (Koa) model:  3.42E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.46E-010 
       Mackay model           :  5.44E-010 
       Octanol/air (Koa) model:  2.74E-011 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.4872 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =   2.8224 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    4.300 Days (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    3.790 Days (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.014000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     0.028000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    81.857 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    40.929 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi): 3.95E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  43.79
      Log Koc:  1.641 

 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 = 0.151 (BCF = 1.416)
       log Kow used: 1.11 (estimated)

 Volatilization from Water:
    Henry LC:  0.226 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:     0.8186  hours   (49.12 min)
    Half-Life from Model Lake :      76.03  hours   (3.168 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.87  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.29  percent
    Total to Air:               98.56  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       37.4            57.7         1000       
   Water     61.7            360          1000       
   Soil      0.826           720          1000       
   Sediment  0.127           3.24e+003    0          
     Persistence Time: 99.7 hr

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