ChemSpider 2D Image | 2-Chloro-1,1-difluoroethane | C2H3ClF2

2-Chloro-1,1-difluoroethane

  • Molecular FormulaC2H3ClF2
  • Average mass100.495 Da
  • Monoisotopic mass99.989136 Da
  • ChemSpider ID2018165

More details:

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

1731636 [Beilstein]
2-Chlor-1,1-difluorethan [German] [ACD/IUPAC Name]
2-Chloro-1,1-difluoroethane [ACD/IUPAC Name]
2-Chloro-1,1-difluoroéthane [French] [ACD/IUPAC Name]
338-65-8 [RN]
Ethane, 2-chloro-1,1-difluoro- [ACD/Index Name]
G1YFF [WLN]
2,2-Difluoroethyl chloride
2-CDE
2-Chloro-1,1-Difluoroethane [338-65-8]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

49430BPM5B [DBID]
UNII:49430BPM5B [DBID]
  • Gas Chromatography

    • Retention Index (Normal Alkane):

      335 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.53 mm; Column length: 60 m; Column type: Capillary; Description: 40C(6min)=>5C/min=>80C=>10C/min=>200C; CAS no: 338658; Active phase: SPB-1; Carrier gas: He; Phase thickness: 5 um; Data type: Normal alkane RI; Authors: Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56.) NIST Spectra nist ri
      365 (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: 338658; 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, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 31.0±8.0 °C at 760 mmHg
Vapour Pressure: 612.4±0.1 mmHg at 25°C
Enthalpy of Vaporization: 26.5±3.0 kJ/mol
Flash Point: -41.8±11.9 °C
Index of Refraction: 1.315
Molar Refractivity: 16.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.86
ACD/KOC (pH 5.5): 91.44
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.86
ACD/KOC (pH 7.4): 91.44
Polar Surface Area: 0 Å2
Polarizability: 6.5±0.5 10-24cm3
Surface Tension: 15.3±3.0 dyne/cm
Molar Volume: 84.2±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) =  1.39

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  26.84  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -121.38  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  710  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1385
       log Kow used: 1.39 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3824.9 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.36E-001  atm-m3/mole
   Group Method:   4.35E-004  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  6.779E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.39  (KowWin est)
  Log Kaw used:  0.745  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  0.645
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5883
   Biowin2 (Non-Linear Model)     :   0.4326
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8039  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6021  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4478
   Biowin6 (MITI Non-Linear Model):   0.0002
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6816
 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):  9.47E+004 Pa (710 mm Hg)
  Log Koa (Koawin est  ): 0.645
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.17E-011 
       Octanol/air (Koa) model:  1.08E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.14E-009 
       Mackay model           :  2.54E-009 
       Octanol/air (Koa) model:  8.67E-011 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0523 E-12 cm3/molecule-sec
      Half-Life =   204.471 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.84E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  67.7
      Log Koc:  1.831 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  7.901E-001  L/mol-sec
  Kb Half-Life at pH 8:      10.153  days   
  Kb Half-Life at pH 7:     101.527  days   

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.367 (BCF = 2.327)
       log Kow used: 1.39 (estimated)

 Volatilization from Water:
    Henry LC:  0.000435 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.372  hours
    Half-Life from Model Lake :      109.9  hours   (4.581 days)

 Removal In Wastewater Treatment:
    Total removal:              17.95  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:     1.60  percent
    Total to Air:               16.27  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       30.6            4.91e+003    1000       
   Water     37.6            360          1000       
   Soil      31.7            720          1000       
   Sediment  0.0848          3.24e+003    0          
     Persistence Time: 222 hr

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