ChemSpider 2D Image | 2IQ22ABI8P | C2H4F2

2IQ22ABI8P

  • Molecular FormulaC2H4F2
  • Average mass66.050 Da
  • Monoisotopic mass66.028107 Da
  • ChemSpider ID11722

More details:






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

1,2-Difluorethan [German] [ACD/IUPAC Name]
1,2-DIFLUOROETHANE [ACD/IUPAC Name]
1,2-Difluoroéthane [French] [ACD/IUPAC Name]
2IQ22ABI8P
624-72-6 [RN]
Ethane, 1,2-difluoro- [ACD/Index Name]
ETHYLENE FLUORIDE
[624-72-6]
1,2-difluoroacetylene
1,2-Difluoroethane (FC-152)
More...

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

BRN 1730859 [DBID]
Freon 152 [DBID]
HSDB 6786 [DBID]
MFCD00039286 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography
    • Retention Index (Kovats):

      166 (estimated with error: 34) NIST Spectra mainlib_215683, replib_195028
    • Retention Index (Normal Alkane):

      368 (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: 624726; 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
      347 (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: 624726; 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: 0.9±0.1 g/cm3
Boiling Point: 6.1±8.0 °C at 760 mmHg
Vapour Pressure: 1471.5±0.0 mmHg at 25°C
Enthalpy of Vaporization: 24.4±3.0 kJ/mol
Flash Point: -42.4±6.3 °C
Index of Refraction: 1.255
Molar Refractivity: 11.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 2.07
ACD/KOC (pH 5.5): 58.52
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 2.07
ACD/KOC (pH 7.4): 58.52
Polar Surface Area: 0 Å2
Polarizability: 4.6±0.5 10-24cm3
Surface Tension: 10.6±3.0 dyne/cm
Molar Volume: 72.4±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) =  1.21

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -30.40  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -145.55  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  621  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  30.7 deg C
    VP  (exp database):  6.16E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2312
       log Kow used: 1.21 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4775.9 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.87E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.334E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.21  (KowWin est)
  Log Kaw used:  1.199  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  0.011
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7161
   Biowin2 (Non-Linear Model)     :   0.8880
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0532  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7524  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6492
   Biowin6 (MITI Non-Linear Model):   0.0015
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8881
 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):  8.21E+004 Pa (616 mm Hg)
  Log Koa (Koawin est  ): 0.011
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.65E-011 
       Octanol/air (Koa) model:  2.52E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.32E-009 
       Mackay model           :  2.92E-009 
       Octanol/air (Koa) model:  2.01E-011 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.1071 E-12 cm3/molecule-sec
      Half-Life =    99.859 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.12E-009 (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]:
  Total Kb for pH > 8 at 25 deg C :  3.561E-010  L/mol-sec
  Kb Half-Life at pH 8: 6.168E+007  years  
  Kb Half-Life at pH 7: 6.168E+008  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.228 (BCF = 1.69)
       log Kow used: 1.21 (estimated)

 Volatilization from Water:
    Henry LC:  0.387 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:     0.8305  hours   (49.83 min)
    Half-Life from Model Lake :      77.21  hours   (3.217 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.34  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.29  percent
    Total to Air:               99.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       56              2.29e+003    1000       
   Water     43.3            360          1000       
   Soil      0.541           720          1000       
   Sediment  0.0914          3.24e+003    0          
     Persistence Time: 142 hr




                    

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