ChemSpider 2D Image | 1,1,2,2-Tetrafluoropropane | C3H4F4

1,1,2,2-Tetrafluoropropane

  • Molecular FormulaC3H4F4
  • Average mass116.058 Da
  • Monoisotopic mass116.024910 Da
  • ChemSpider ID148999

More details:






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

1,1,2,2-Tetrafluoropropane [ACD/IUPAC Name]
1,1,2,2-Tétrafluoropropane [French] [ACD/IUPAC Name]
1,1,2,2-Tetrafluorpropan [German] [ACD/IUPAC Name]
Propane, 1,1,2,2-tetrafluoro- [ACD/Index Name]
"1,1,2,2-TETRAFLUOROPROPANE"
[40723-63-5]
1,1,2,2-Tetrafluoropropane (FC-254cb)
1,1,2,2-Tetrafluoropropane (FC-254cb) 97%
40723-63-5 [RN]
53466-45-8 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD00798128 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 3.9±8.0 °C at 760 mmHg
Vapour Pressure: 1588.2±0.0 mmHg at 25°C
Enthalpy of Vaporization: 24.2±3.0 kJ/mol
Flash Point: -59.5±7.1 °C
Index of Refraction: 1.262
Molar Refractivity: 16.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.71
ACD/KOC (pH 5.5): 121.14
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.71
ACD/KOC (pH 7.4): 121.14
Polar Surface Area: 0 Å2
Polarizability: 6.6±0.5 10-24cm3
Surface Tension: 10.9±3.0 dyne/cm
Molar Volume: 100.3±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) =  2.10

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -42.06  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -149.01  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.13E+003  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  303.7
       log Kow used: 2.10 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  603.2 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.03E+000  atm-m3/mole
   Group Method:   2.03E-001  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  3.822E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.10  (KowWin est)
  Log Kaw used:  1.919  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  0.181
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5084
   Biowin2 (Non-Linear Model)     :   0.4103
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7306  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5269  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4537
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2564
 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):  6.81E+005 Pa (5.11E+003 mm Hg)
  Log Koa (Koawin est  ): 0.181
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.4E-012 
       Octanol/air (Koa) model:  3.72E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.59E-010 
       Mackay model           :  3.52E-010 
       Octanol/air (Koa) model:  2.98E-011 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0028 E-12 cm3/molecule-sec
      Half-Life =  3880.204 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.56E-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 :  7.814E-003  L/mol-sec
  Kb Half-Life at pH 8:       2.811  years  
  Kb Half-Life at pH 7:      28.108  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.915 (BCF = 8.225)
       log Kow used: 2.10 (estimated)

 Volatilization from Water:
    Henry LC:  0.203 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.102  hours
    Half-Life from Model Lake :      102.4  hours   (4.265 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.74  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.56  percent
    Total to Air:               98.16  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       51.9            9.31e+004    1000       
   Water     47.1            900          1000       
   Soil      0.78            1.8e+003     1000       
   Sediment  0.206           8.1e+003     0          
     Persistence Time: 166 hr




                    

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