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Search term: 1615-75-4 (Found by approved synonym)
ChemSpider 2D Image | 1-Chloro-1-fluoroethane | C2H4ClF

1-Chloro-1-fluoroethane

  • Molecular FormulaC2H4ClF
  • Average mass82.505 Da
  • Monoisotopic mass81.998558 Da
  • ChemSpider ID14632

More details:

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

1615-75-4 [RN]
1-Chlor-1-fluorethan [German] [ACD/IUPAC Name]
1-Chloro-1-fluoroethane [ACD/IUPAC Name]
1-Chloro-1-fluoroéthane [French] [ACD/IUPAC Name]
Ethane, 1-chloro-1-fluoro- [ACD/Index Name]
[1615-75-4] [RN]
110587-14-9 [RN]
1-Chlorofluoroethane
1-Isopropyl-3-nitrobenzene [ACD/IUPAC Name]
97%
More...

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

BRN 1730840 [DBID]
Freon 151 [DBID]
MFCD00221779 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 12.6±8.0 °C at 760 mmHg
Vapour Pressure: 1176.4±0.0 mmHg at 25°C
Enthalpy of Vaporization: 25.0±3.0 kJ/mol
Flash Point: -68.6±5.3 °C
Index of Refraction: 1.335
Molar Refractivity: 16.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.56
ACD/KOC (pH 5.5): 103.09
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.56
ACD/KOC (pH 7.4): 103.09
Polar Surface Area: 0 Å2
Polarizability: 6.5±0.5 10-24cm3
Surface Tension: 15.8±3.0 dyne/cm
Molar Volume: 78.8±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) =  1.44

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  9.50  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -126.73  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.05E+003  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  16.2 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7551
       log Kow used: 1.44 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7425.2 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.85E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.093E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.44  (KowWin est)
  Log Kaw used:  0.447  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  0.993
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5969
   Biowin2 (Non-Linear Model)     :   0.4961
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8437  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6281  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4349
   Biowin6 (MITI Non-Linear Model):   0.0103
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5760
 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):  1.4E+005 Pa (1.05E+003 mm Hg)
  Log Koa (Koawin est  ): 0.993
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.14E-011 
       Octanol/air (Koa) model:  2.42E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.74E-010 
       Mackay model           :  1.71E-009 
       Octanol/air (Koa) model:  1.93E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0965 E-12 cm3/molecule-sec
      Half-Life =   110.843 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.24E-009 (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]:
  Total Kb for pH > 8 at 25 deg C :  9.158E-010  L/mol-sec
  Kb Half-Life at pH 8: 2.398E+007  years  
  Kb Half-Life at pH 7: 2.398E+008  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.412 (BCF = 2.585)
       log Kow used: 1.44 (estimated)

 Volatilization from Water:
    Henry LC:  0.0685 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:     0.9347  hours   (56.08 min)
    Half-Life from Model Lake :      86.36  hours   (3.598 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              96.37  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.37  percent
    Total to Air:               95.98  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       55.8            2.66e+003    1000       
   Water     43.1            360          1000       
   Soil      0.945           720          1000       
   Sediment  0.0994          3.24e+003    0          
     Persistence Time: 143 hr


 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.44

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  9.50  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -126.73  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.05E+003  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  16.2 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7551
       log Kow used: 1.44 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7425.2 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.85E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.093E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.44  (KowWin est)
  Log Kaw used:  0.447  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  0.993
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5969
   Biowin2 (Non-Linear Model)     :   0.4961
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8437  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6281  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4349
   Biowin6 (MITI Non-Linear Model):   0.0103
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5760
 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):  1.4E+005 Pa (1.05E+003 mm Hg)
  Log Koa (Koawin est  ): 0.993
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.14E-011 
       Octanol/air (Koa) model:  2.42E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.74E-010 
       Mackay model           :  1.71E-009 
       Octanol/air (Koa) model:  1.93E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0965 E-12 cm3/molecule-sec
      Half-Life =   110.843 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.24E-009 (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]:
  Total Kb for pH > 8 at 25 deg C :  9.158E-010  L/mol-sec
  Kb Half-Life at pH 8: 2.398E+007  years  
  Kb Half-Life at pH 7: 2.398E+008  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.412 (BCF = 2.585)
       log Kow used: 1.44 (estimated)

 Volatilization from Water:
    Henry LC:  0.0685 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:     0.9347  hours   (56.08 min)
    Half-Life from Model Lake :      86.36  hours   (3.598 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              96.37  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.37  percent
    Total to Air:               95.98  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       55.8            2.66e+003    1000       
   Water     43.1            360          1000       
   Soil      0.945           720          1000       
   Sediment  0.0994          3.24e+003    0          
     Persistence Time: 143 hr

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