ChemSpider 2D Image | 82FTA | C10H3F17O2

82FTA

  • Molecular FormulaC10H3F17O2
  • Average mass478.103 Da
  • Monoisotopic mass477.986145 Da
  • ChemSpider ID9169620

More details:






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

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluordecansäure [German] [ACD/IUPAC Name]
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecanoic acid [ACD/IUPAC Name]
82FTA
Acide 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadécafluorodécanoïque [French] [ACD/IUPAC Name]
Decanoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro- [ACD/Index Name]
27854-31-5 [RN]
2H,2H-PERFLUORODECANOIC ACID
2H,2H-Perfluorodecanoic acid|2-Perfluorooctylethanoic acid
2-Perfluorohexylethanoic acid
2-Perfluorohexylethanoicacid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 225.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 50.9±6.0 kJ/mol
Flash Point: 90.1±25.9 °C
Index of Refraction: 1.299
Molar Refractivity: 52.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.50
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 317.24
ACD/KOC (pH 5.5): 550.21
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 10.74
ACD/KOC (pH 7.4): 18.64
Polar Surface Area: 37 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 17.4±3.0 dyne/cm
Molar Volume: 281.2±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) =  7.76

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  240.36  (Adapted Stein & Brown method)
    Melting Pt (deg C):  49.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0258  (Modified Grain method)
    Subcooled liquid VP: 0.0436 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.0005835
       log Kow used: 7.76 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.9744e-005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.34E-001  atm-m3/mole
   Group Method:   9.96E+000  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.782E+001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.76  (KowWin est)
  Log Kaw used:  1.414  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.346
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -1.2153
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.5094  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.1950  (months      )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2891
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.2908
 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):  5.81 Pa (0.0436 mm Hg)
  Log Koa (Koawin est  ): 6.346
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.16E-007 
       Octanol/air (Koa) model:  5.45E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.86E-005 
       Mackay model           :  4.13E-005 
       Octanol/air (Koa) model:  4.36E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.5326 E-12 cm3/molecule-sec
      Half-Life =    20.082 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.194E+005
      Log Koc:  5.341 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.000 (BCF = 10)
       log Kow used: 7.76 (estimated)

 Volatilization from Water:
    Henry LC:  9.96 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.231  hours
    Half-Life from Model Lake :      207.7  hours   (8.654 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.58  percent
    Total biodegradation:        0.32  percent
    Total sludge adsorption:    67.79  percent
    Total to Air:               30.47  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.506           482          1000       
   Water     0.935           4.32e+003    1000       
   Soil      25.7            8.64e+003    1000       
   Sediment  72.9            3.89e+004    0          
     Persistence Time: 8.55e+003 hr




                    

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