ChemSpider 2D Image | 1,1-DIFLUOROETHYLENE | C2H2F2

1,1-DIFLUOROETHYLENE

  • Molecular FormulaC2H2F2
  • Average mass64.034 Da
  • Monoisotopic mass64.012459 Da
  • ChemSpider ID13836545

More details:






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

1,1-Difluorethen [German] [ACD/IUPAC Name]
1,1-Difluoroethene [ACD/IUPAC Name]
1,1-Difluoro-ethene
1,1-Difluoroéthène [French] [ACD/IUPAC Name]
1,1-DIFLUOROETHYLENE [Wiki]
75-38-7 [RN]
difluoroethene
Ethene, 1,1-difluoro- [ACD/Index Name]
ETHYLENE, 1,1-DIFLUORO-
Halocarbon 1132A
More...

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

182702_ALDRICH [DBID]
295272_ALDRICH [DBID]
347078_ALDRICH [DBID]
36865_FLUKA [DBID]
427144_ALDRICH [DBID]
427152_ALDRICH [DBID]
MFCD00000448 [DBID]
NCI-C60208 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Colorless gas with a faint, ethereal odor. [Note: Shipped as a liquefied compressed gas.] NIOSH KW0560000
      colourless gas Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Flammable. Incompatible with strong oxidizingagents. Forms peroxides on exposure to oxygen. May react violentlywith hydrogen chloride. Alkyl boron and alkyl hyponitrite compoundsinitiate polym erization. Heat sensitive. Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar 44080
      COMPRESSED GAS, FLAMMABLE Matrix Scientific 005276
      Extremely Flammable SynQuest 1300-3-06, 52401
      Safety glasses, good ventilation. Oxford University Chemical Safety Data (No longer updated) More details
    • First-Aid:

      Eye: Frostbite Skin: Frostbite Breathing: Respiratory support NIOSH KW0560000
    • Exposure Routes:

      inhalation, skin and/or eye contact (liquid) NIOSH KW0560000
    • Symptoms:

      Dizziness, headache, nausea; liquid: frostbite NIOSH KW0560000
    • Target Organs:

      central nervous system NIOSH KW0560000
    • Incompatibility:

      Oxidizers, aluminum chloride [Note: Violent reaction with hydrogen chloride when heated under pressure.] NIOSH KW0560000
    • Personal Protection:

      Skin: Frostbite Eyes: Frostbite Wash skin: No recommendation Remove: When wet (flammable) Change: No recommendation Provide: Frostbite wash NIOSH KW0560000
    • Exposure Limits:

      NIOSH REL : TWA 1 ppm C 5 ppm [use 1910.1017] OSHA PEL : none NIOSH KW0560000
  • Gas Chromatography
    • Retention Index (Kovats):

      133 (estimated with error: 34) NIST Spectra mainlib_19017, replib_186, replib_158128
    • Retention Index (Normal Alkane):

      214 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 250 C; CAS no: 75387; Active phase: OV-101; Carrier gas: N2/He; Phase thickness: 0.10 um; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Experimentally measured retention indices., 2005.) NIST Spectra nist ri
      194 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column type: Capillary; CAS no: 75387; Active phase: Porapack Q; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Rodin, A.A., Gas chromatographic identification of some volatile toxic fluorine containing compounds by precalculated retention indices, J. Ecol. Chem. (Rus.), 13(1), 2004, 22-28.) NIST Spectra nist ri
      193 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column length: 2 m; Column type: Packed; Heat rate: 5 K/min; Start T: 50 C; End T: 220 C; End time: 0 min; Start time: 0 min; CAS no: 75387; Active phase: Porapack Q; Carrier gas: Nitrogen; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Konukhova, S.V., Gas Chromatographic Identification of Ecologically Safe Freones, Vestn. of St. Petersburg Univ. (Rus.), , 1992, 66-70, In original 66-70.) NIST Spectra nist ri

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

Density: 1.0±0.1 g/cm3
Boiling Point: -85.7±8.0 °C at 760 mmHg
Vapour Pressure: 26177.0±0.1 mmHg at 25°C
Enthalpy of Vaporization: 17.1±3.0 kJ/mol
Flash Point: -90.9±6.3 °C
Index of Refraction: 1.265
Molar Refractivity: 11.2±0.3 cm3
#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): 1.21
ACD/BCF (pH 5.5): 4.87
ACD/KOC (pH 5.5): 108.14
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.87
ACD/KOC (pH 7.4): 108.14
Polar Surface Area: 0 Å2
Polarizability: 4.4±0.5 10-24cm3
Surface Tension: 8.8±3.0 dyne/cm
Molar Volume: 67.3±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) =  1.24
    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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