ChemSpider 2D Image | 1,2-Dichloro-1,1,2-trifluoroethane | C2HCl2F3

1,2-Dichloro-1,1,2-trifluoroethane

  • Molecular FormulaC2HCl2F3
  • Average mass152.930 Da
  • Monoisotopic mass151.940735 Da
  • ChemSpider ID9254

More details:

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

1,2-Dichlor-1,1,2-trifluorethan [German] [ACD/IUPAC Name]
1,2-Dichloro-1,1,2-trifluoroethane [ACD/IUPAC Name]
1,2-Dichloro-1,1,2-trifluoroéthane [French] [ACD/IUPAC Name]
206-549-4 [EINECS]
354-23-4 [RN]
Ethane, 1,2-dichloro-1,1,2-trifluoro- [ACD/Index Name]
1,1,2-Trifluoro-1,2-dichloroethane
1,2-Dichloro-1,1,2- trifluoroethane (HCFC-123a)
1,2-dichloro-1,1,2-trifluoro-ethane
1,2-Dichloro-1,2,2-trifluoroethane
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

K8CR1MEG1D [DBID]
UNII:K8CR1MEG1D [DBID]
BRN 1698496 [DBID]
HSDB 6871 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 34.1±8.0 °C at 760 mmHg
Vapour Pressure: 547.2±0.1 mmHg at 25°C
Enthalpy of Vaporization: 26.8±3.0 kJ/mol
Flash Point: -32.3±11.9 °C
Index of Refraction: 1.344
Molar Refractivity: 21.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.32
ACD/KOC (pH 5.5): 341.69
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.32
ACD/KOC (pH 7.4): 341.69
Polar Surface Area: 0 Å2
Polarizability: 8.5±0.5 10-24cm3
Surface Tension: 18.5±3.0 dyne/cm
Molar Volume: 101.1±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) =  2.17

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  30.59  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -103.82  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  643  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -78 deg C
    BP  (exp database):  29.5 deg C
    VP  (exp database):  6.20E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  185.7
       log Kow used: 2.17 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  638.49 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.55E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.968E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.17  (KowWin est)
  Log Kaw used:  0.592  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.578
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2680
   Biowin2 (Non-Linear Model)     :   0.0100
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3027  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2724  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3284
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3067
 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):  8.27E+004 Pa (620 mm Hg)
  Log Koa (Koawin est  ): 1.578
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.63E-011 
       Octanol/air (Koa) model:  9.29E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.31E-009 
       Mackay model           :  2.9E-009 
       Octanol/air (Koa) model:  7.43E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0021 E-12 cm3/molecule-sec
      Half-Life =  4979.045 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.11E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  154.4
      Log Koc:  2.189 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  2.437E+001  L/mol-sec
  Kb Half-Life at pH 8:       7.901  hours  
  Kb Half-Life at pH 7:       3.292  days   

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.974 (BCF = 9.415)
       log Kow used: 2.17 (estimated)

 Volatilization from Water:
    Henry LC:  0.0955 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.269  hours
    Half-Life from Model Lake :      117.5  hours   (4.898 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              97.37  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.64  percent
    Total to Air:               96.71  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       51.5            2.09e+004    1000       
   Water     47              900          1000       
   Soil      1.31            1.8e+003     1000       
   Sediment  0.226           8.1e+003     0          
     Persistence Time: 167 hr

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