ChemSpider 2D Image | HCFC-131 | C2H2Cl3F

HCFC-131

  • Molecular FormulaC2H2Cl3F
  • Average mass151.395 Da
  • Monoisotopic mass149.920609 Da
  • ChemSpider ID9285

More details:

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

1,1,2-Trichlor-2-fluorethan [German] [ACD/IUPAC Name]
1,1,2-Trichloro-2-fluoroethane [ACD/IUPAC Name]
1,1,2-Trichloro-2-fluoroéthane [French] [ACD/IUPAC Name]
2-fluoro-1,1,2-trichloroethane
359-28-4 [RN]
Ethane, 1,1,2-trichloro-2-fluoro- [ACD/Index Name]
H0FB1H5N3K
HCFC-131
UNII:H0FB1H5N3K
1,1,2-Trichloro-2-fluoroethane|2-Fluoro-1,1,2-trichloroethane
More...

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

HCFC 131 [DBID]
MFCD00042133 [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: 102.1±8.0 °C at 760 mmHg
Vapour Pressure: 39.5±0.2 mmHg at 25°C
Enthalpy of Vaporization: 32.7±3.0 kJ/mol
Flash Point: 10.2±11.9 °C
Index of Refraction: 1.423
Molar Refractivity: 25.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.27
ACD/KOC (pH 5.5): 310.46
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.27
ACD/KOC (pH 7.4): 310.46
Polar Surface Area: 0 Å2
Polarizability: 10.3±0.5 10-24cm3
Surface Tension: 26.6±3.0 dyne/cm
Molar Volume: 101.9±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) =  1.88

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  103.12  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -76.98  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  336  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  0 deg C
    BP  (exp database):  46.5 deg C
    VP  (exp database):  3.62E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1858
       log Kow used: 1.88 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2252.6 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.50E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.603E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.88  (KowWin est)
  Log Kaw used:  -0.459  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.339
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3413
   Biowin2 (Non-Linear Model)     :   0.0090
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3451  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3275  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1810
   Biowin6 (MITI Non-Linear Model):   0.0004
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4604
 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):  4.83E+004 Pa (362 mm Hg)
  Log Koa (Koawin est  ): 2.339
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.22E-011 
       Octanol/air (Koa) model:  5.36E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.25E-009 
       Mackay model           :  4.97E-009 
       Octanol/air (Koa) model:  4.29E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0810 E-12 cm3/molecule-sec
      Half-Life =   132.092 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.61E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  106.8
      Log Koc:  2.029 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  9.530E+000  L/mol-sec
  Kb Half-Life at pH 8:      20.201  hours  
  Kb Half-Life at pH 7:       8.417  days   

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.747 (BCF = 5.585)
       log Kow used: 1.88 (estimated)

 Volatilization from Water:
    Henry LC:  0.0085 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1.34  hours
    Half-Life from Model Lake :      117.8  hours   (4.908 days)

 Removal In Wastewater Treatment:
    Total removal:              77.05  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     0.81  percent
    Total to Air:               76.21  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       47.9            3.17e+003    1000       
   Water     45.9            900          1000       
   Soil      6.05            1.8e+003     1000       
   Sediment  0.156           8.1e+003     0          
     Persistence Time: 175 hr

Click to predict properties on the Chemicalize site


Advertisement