ChemSpider 2D Image | 1,1-Dichloro-1-fluoroethane | C2H3Cl2F


  • Molecular FormulaC2H3Cl2F
  • Average mass116.950 Da
  • Monoisotopic mass115.959587 Da
  • ChemSpider ID14829

More details:

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

1,1-Dichlor-1-fluorethan [German] [ACD/IUPAC Name]
1,1-Dichloro-1-fluoroethane [ACD/IUPAC Name] [Wiki]
1,1-Dichloro-1-fluoroéthane [French] [ACD/IUPAC Name]
1717-00-6 [RN]
4-01-00-00134 [Beilstein]
404-080-1 [EINECS]
CFC 141b
Ethane, 1,1-dichloro-1-fluoro- [ACD/Index Name]
Ethane, dichlorofluoro-

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

BRN 1731585 [DBID]
CFC-141 [DBID]
Freon 141 [DBID]
Freon-141 [DBID]
HSDB 6757 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 35.5±8.0 °C at 760 mmHg
Vapour Pressure: 521.9±0.1 mmHg at 25°C
Enthalpy of Vaporization: 26.9±3.0 kJ/mol
Flash Point: -33.4±11.9 °C
Index of Refraction: 1.387
Molar Refractivity: 21.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 22.00
ACD/KOC (pH 5.5): 318.04
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 22.00
ACD/KOC (pH 7.4): 318.04
Polar Surface Area: 0 Å2
Polarizability: 8.4±0.5 10-24cm3
Surface Tension: 21.4±3.0 dyne/cm
Molar Volume: 89.8±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) =  2.37

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  26.95  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -97.97  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  585  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -103.5 deg C
    BP  (exp database):  32 deg C
    VP  (exp database):  6.00E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  982
       log Kow used: 2.37 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  420 mg/L (25 deg C)
        Exper. Ref:  HORVATH,AL ET AL. (1999)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1629 mg/L
    Wat Sol (Exper. database match) =  420.00
       Exper. Ref:  HORVATH,AL ET AL. (1999)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.41E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.167E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.37  (KowWin est)
  Log Kaw used:  -0.006  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.376
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2852
   Biowin2 (Non-Linear Model)     :   0.0166
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3822  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3243  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4518
   Biowin6 (MITI Non-Linear Model):   0.0033
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3930
 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):  8E+004 Pa (600 mm Hg)
  Log Koa (Koawin est  ): 2.376
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.75E-011 
       Octanol/air (Koa) model:  5.83E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.35E-009 
       Mackay model           :  3E-009 
       Octanol/air (Koa) model:  4.67E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0060 E-12 cm3/molecule-sec
      Half-Life =  1787.431 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.18E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  48.64
      Log Koc:  1.687 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  7.434E-009  L/mol-sec
  Kb Half-Life at pH 8: 2.954E+006  years  
  Kb Half-Life at pH 7: 2.954E+007  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.122 (BCF = 13.24)
       log Kow used: 2.37 (estimated)

 Volatilization from Water:
    Henry LC:  0.0241 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1.13  hours
    Half-Life from Model Lake :        103  hours   (4.292 days)

 Removal In Wastewater Treatment:
    Total removal:              90.40  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     0.98  percent
    Total to Air:               89.40  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       49.1            4.35e+004    1000       
   Water     45.2            900          1000       
   Soil      5.41            1.8e+003     1000       
   Sediment  0.295           8.1e+003     0          
     Persistence Time: 174 hr


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