ChemSpider 2D Image | 1,1,2-Trifluoroethane | C2H3F3

1,1,2-Trifluoroethane

  • Molecular FormulaC2H3F3
  • Average mass84.040 Da
  • Monoisotopic mass84.018684 Da
  • ChemSpider ID9506

More details:






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

1,1,2-Trifluorethan [German] [ACD/IUPAC Name]
1,1,2-Trifluoroethane [ACD/IUPAC Name]
1,1,2-Trifluoroéthane [French] [ACD/IUPAC Name]
Ethane, 1,1,2-trifluoro- [ACD/Index Name]
"1,1,2-TRIFLUOROETHANE"
1,1,1-Trifluoroethane, compressed or Refrigerant gas R 143a [UN2035] [Flammable gas]
1,1,2-Trifluoroethane (FC-143)
1,1,2-Trifluoroethane (FC-143) 99%
1,1,2-Trifluoroethane (FC-143) 99.5%
207-066-1 [EINECS]
More...

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

BRN 1731624 [DBID]
FC 143 [DBID]
FC-143 [DBID]
R 143 [DBID]
UN2035 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: -7.5±8.0 °C at 760 mmHg
Vapour Pressure: 2332.9±0.0 mmHg at 25°C
Enthalpy of Vaporization: 23.3±3.0 kJ/mol
Flash Point: -63.7±6.4 °C
Index of Refraction: 1.237
Molar Refractivity: 11.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.35
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.76
ACD/KOC (pH 5.5): 52.26
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.76
ACD/KOC (pH 7.4): 52.26
Polar Surface Area: 0 Å2
Polarizability: 4.7±0.5 10-24cm3
Surface Tension: 9.6±3.0 dyne/cm
Molar Volume: 78.3±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) =  1.07

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -44.91  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -156.99  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.51E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -84 deg C
    BP  (exp database):  5 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2825
       log Kow used: 1.07 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4306.9 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.70E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.975E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.07  (KowWin est)
  Log Kaw used:  1.498  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  -0.428
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7075
   Biowin2 (Non-Linear Model)     :   0.8600
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0135  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7265  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5130
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6962
 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):  2E+005 Pa (1.5E+003 mm Hg)
  Log Koa (Koawin est  ): -0.428
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.5E-011 
       Octanol/air (Koa) model:  9.16E-014 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.42E-010 
       Mackay model           :  1.2E-009 
       Octanol/air (Koa) model:  7.33E-012 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0219 E-12 cm3/molecule-sec
      Half-Life =   489.071 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 8.71E-010 (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 :  9.253E-005  L/mol-sec
  Kb Half-Life at pH 8:     237.362  years  
  Kb Half-Life at pH 7:    2373.623  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.126 (BCF = 1.335)
       log Kow used: 1.07 (estimated)

 Volatilization from Water:
    Henry LC:  0.77 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:     0.9362  hours   (56.17 min)
    Half-Life from Model Lake :      87.08  hours   (3.628 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.67  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.28  percent
    Total to Air:               99.37  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       56.7            1.4e+004     1000       
   Water     42.7            360          1000       
   Soil      0.497           720          1000       
   Sediment  0.0869          3.24e+003    0          
     Persistence Time: 144 hr


 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.07

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -44.91  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -156.99  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.51E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -84 deg C
    BP  (exp database):  5 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2825
       log Kow used: 1.07 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4306.9 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.70E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.975E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.07  (KowWin est)
  Log Kaw used:  1.498  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  -0.428
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7075
   Biowin2 (Non-Linear Model)     :   0.8600
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0135  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7265  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5130
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6962
 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):  2E+005 Pa (1.5E+003 mm Hg)
  Log Koa (Koawin est  ): -0.428
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.5E-011 
       Octanol/air (Koa) model:  9.16E-014 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.42E-010 
       Mackay model           :  1.2E-009 
       Octanol/air (Koa) model:  7.33E-012 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0219 E-12 cm3/molecule-sec
      Half-Life =   489.071 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 8.71E-010 (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 :  9.253E-005  L/mol-sec
  Kb Half-Life at pH 8:     237.362  years  
  Kb Half-Life at pH 7:    2373.623  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.126 (BCF = 1.335)
       log Kow used: 1.07 (estimated)

 Volatilization from Water:
    Henry LC:  0.77 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:     0.9362  hours   (56.17 min)
    Half-Life from Model Lake :      87.08  hours   (3.628 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.67  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.28  percent
    Total to Air:               99.37  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       56.7            1.4e+004     1000       
   Water     42.7            360          1000       
   Soil      0.497           720          1000       
   Sediment  0.0869          3.24e+003    0          
     Persistence Time: 144 hr




                    

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