ChemSpider 2D Image | dichlorotrifluoromethylmethane | C2HCl2F3


  • Molecular FormulaC2HCl2F3
  • Average mass152.930 Da
  • Monoisotopic mass151.940735 Da
  • ChemSpider ID9016

More details:

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

2,2-Dichlor-1,1,1-trifluorethan [German] [ACD/IUPAC Name]
2,2-Dichloro-1,1,1-trifluoroethane [ACD/IUPAC Name]
2,2-Dichloro-1,1,1-trifluoroéthane [French] [ACD/IUPAC Name]
306-83-2 [RN]
Ethane, 2,2-dichloro-1,1,1-trifluoro- [ACD/Index Name]
1,1-Chloro-2,2,2-trifluoroethane; HCFC-123; Refrigerant 123

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

CFC 123 [DBID]
F 123 [DBID]
Fron 123 [DBID]
BRN 1736763 [DBID]
BRN 2067113 [DBID]
CFC-123 [DBID]
FC 123 [DBID]
Freon 123 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 30.1±8.0 °C at 760 mmHg
Vapour Pressure: 633.0±0.1 mmHg at 25°C
Enthalpy of Vaporization: 26.4±3.0 kJ/mol
Flash Point: -34.6±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: 1.75
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.57
ACD/KOC (pH 5.5): 364.11
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.57
ACD/KOC (pH 7.4): 364.11
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):  44.88  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -99.64  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  706  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -107 deg C
    BP  (exp database):  27 deg C
    VP  (exp database):  7.18E+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 (Exper. database match) =  2100 mg/L (25 deg C)
        Exper. Ref:  HORVATH,AL ET AL. (1999)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  638.49 mg/L
    Wat Sol (Exper. database match) =  2100.00
       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 :   9.55E-002  atm-m3/mole
   Group Method:   1.14E-002  atm-m3/mole
   Exper Database: 2.56E-02  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  7.650E-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:  0.020  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  2.150
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0685
   Biowin2 (Non-Linear Model)     :   0.0002
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0019  (months      )
   Biowin4 (Primary Survey Model) :   3.1515  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2608
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6409
 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):  9.57E+004 Pa (718 mm Hg)
  Log Koa (Koawin est  ): 2.150
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.13E-011 
       Octanol/air (Koa) model:  3.47E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.13E-009 
       Mackay model           :  2.51E-009 
       Octanol/air (Koa) model:  2.77E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0199 E-12 cm3/molecule-sec
      Half-Life =   537.766 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.82E-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 :  1.633E-003  L/mol-sec
  Kb Half-Life at pH 8:      13.448  years  
  Kb Half-Life at pH 7:     134.484  years  

 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:  0.0256 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       1.29  hours
    Half-Life from Model Lake :      117.8  hours   (4.907 days)

 Removal In Wastewater Treatment:
    Total removal:              90.90  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     0.76  percent
    Total to Air:               90.12  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       48.7            7.05e+003    1000       
   Water     47.6            1.44e+003    1000       
   Soil      3.52            2.88e+003    1000       
   Sediment  0.235           1.3e+004     0          
     Persistence Time: 178 hr


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