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ChemSpider 2D Image | 1,1-difluoroethylene | C2HF2

1,1-difluoroethylene

  • Molecular FormulaC2HF2
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID10676197

More details:

Date of deprecation: 11:53, May 7, 2024
Reason for deprecation: Deprecate record:

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

Density:
Boiling Point: -85.7±0.0 °C at 760 mmHg
Vapour Pressure: 26177.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 17.1±0.0 kJ/mol
Flash Point: -90.9±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 5.24
ACD/KOC (pH 5.5): 113.85
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.24
ACD/KOC (pH 7.4): 113.85
Polar Surface Area: 0 Å2
Polarizability:
Surface Tension:
Molar Volume:

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.24
    Log Kow (Exper. database match) =  1.24
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -40.36  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -156.32  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.87E+004  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -144 deg C
    BP  (exp database):  -85.7 deg C
    VP  (exp database):  3.00E+04 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.195e+004
       log Kow used: 1.24 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.26e+004 mg/L (25 deg C)
        Exper. Ref:  HAM,GE (1981)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  12599 mg/L
    Wat Sol (Exper. database match) =  12600.00
       Exper. Ref:  HAM,GE (1981)

 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
   Exper Database: 3.56E-01  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  5.358E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.24  (exp database)
  Log Kaw used:  1.163  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  0.077
      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):  4E+006 Pa (3E+004 mm Hg)
  Log Koa (Koawin est  ): 0.077
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.5E-013 
       Octanol/air (Koa) model:  2.93E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.71E-011 
       Mackay model           :  6E-011 
       Octanol/air (Koa) model:  2.34E-011 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.2667 E-12 cm3/molecule-sec
      Half-Life =     4.719 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    56.624 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.028000 E-17 cm3/molecule-sec
      Half-Life =    40.929 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 4.35E-011 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  35.04
      Log Koc:  1.545 

 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 = 0.255 (BCF = 1.798)
       log Kow used: 1.24 (expkow database)

 Volatilization from Water:
    Henry LC:  0.356 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.8179  hours   (49.07 min)
    Half-Life from Model Lake :      76.02  hours   (3.167 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.28  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.30  percent
    Total to Air:               98.96  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       44.9            113          1000       
   Water     54.3            360          1000       
   Soil      0.688           720          1000       
   Sediment  0.116           3.24e+003    0          
     Persistence Time: 113 hr

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