ChemSpider 2D Image | 1-Chloro-1,1,2,2-tetrafluoroethane | C2HClF4

1-Chloro-1,1,2,2-tetrafluoroethane

  • Molecular FormulaC2HClF4
  • Average mass136.476 Da
  • Monoisotopic mass135.970291 Da
  • ChemSpider ID9255

More details:






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

1-Chlor-1,1,2,2-tetrafluorethan [German] [ACD/IUPAC Name]
1-Chloro-1,1,2,2-tetrafluoroethane [ACD/IUPAC Name]
1-Chloro-1,1,2,2-tétrafluoroéthane [French] [ACD/IUPAC Name]
206-552-0 [EINECS]
354-25-6 [RN]
Ethane, 1-chloro-1,1,2,2-tetrafluoro- [ACD/Index Name]
1,1,2,2-Tetrafluoro-1-chloroethane
1,1,2,2-Tetrafluorochloroethane
1-chloro-1,1,2,2-tetrafluoro-ethane
1-CHLORO-1,1,2,2-TETRAFLUOROETHANE (HCFC-124A)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4X1142270I [DBID]
BRN 1736683 [DBID]
HSDB 6872 [DBID]
UNII:4X1142270I [DBID]
UNII-4X1142270I [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: -8.1±8.0 °C at 760 mmHg
Vapour Pressure: 2376.8±0.0 mmHg at 25°C
Enthalpy of Vaporization: 23.2±3.0 kJ/mol
Flash Point: -61.7±11.9 °C
Index of Refraction: 1.281
Molar Refractivity: 16.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.46
ACD/KOC (pH 5.5): 223.79
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.46
ACD/KOC (pH 7.4): 223.79
Polar Surface Area: 0 Å2
Polarizability: 6.6±0.5 10-24cm3
Surface Tension: 13.0±3.0 dyne/cm
Molar Volume: 95.1±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) =  1.86

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -25.22  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -134.77  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.6E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -117 deg C
    BP  (exp database):  -10 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  404.2
       log Kow used: 1.86 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  767.21 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.40E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.377E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.86  (KowWin est)
  Log Kaw used:  1.344  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  0.516
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3873
   Biowin2 (Non-Linear Model)     :   0.0755
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5123  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3968  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3937
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3213
 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):  3.37E+005 Pa (2.53E+003 mm Hg)
  Log Koa (Koawin est  ): 0.516
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.89E-012 
       Octanol/air (Koa) model:  8.05E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.21E-010 
       Mackay model           :  7.11E-010 
       Octanol/air (Koa) model:  6.44E-011 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0005 E-12 cm3/molecule-sec
      Half-Life = 20128.054 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.16E-010 (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 :  1.581E+002  L/mol-sec
  Kb Half-Life at pH 8:       1.218  hours  
  Kb Half-Life at pH 7:      12.176  hours  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.733 (BCF = 5.402)
       log Kow used: 1.86 (estimated)

 Volatilization from Water:
    Henry LC:  0.54 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.193  hours
    Half-Life from Model Lake :        111  hours   (4.624 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.52  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.42  percent
    Total to Air:               99.08  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       52.1            4.83e+005    1000       
   Water     47.2            900          1000       
   Soil      0.499           1.8e+003     1000       
   Sediment  0.157           8.1e+003     0          
     Persistence Time: 165 hr




                    

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