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Search term: GEXSLRJJTOFEMA-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | PERFLUORO DIMETHYLETHYLPENTANE | C9F20

PERFLUORO DIMETHYLETHYLPENTANE

  • Molecular FormulaC9F20
  • Average mass488.064 Da
  • Monoisotopic mass487.968079 Da
  • ChemSpider ID2284448

More details:

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

1,1,1,2,2,3,4,5,5,5-Decafluor-3-(1,1,1,2,3,3,3-heptafluor-2-propanyl)-4-(trifluormethyl)pentan [German] [ACD/IUPAC Name]
1,1,1,2,2,3,4,5,5,5-Decafluoro-3-(1,1,1,2,3,3,3-heptafluoro-2-propanyl)-4-(trifluoromethyl)pentane [ACD/IUPAC Name]
1,1,1,2,2,3,4,5,5,5-Décafluoro-3-(1,1,1,2,3,3,3-heptafluoro-2-propanyl)-4-(trifluorométhyl)pentane [French] [ACD/IUPAC Name]
1,1,1,2,2,3,4,5,5,5-Decafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pentane
1,1,1,2,2,3,4,5,5,5-Decafluoro-3-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-4-(trifluoromethyl)pentane
1,1,1,2,2,3,4,5,5,5-decafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-4-(trifluoromethyl)pentane
256-522-6 [EINECS]
50285-18-2 [RN]
Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-4-(trifluoromethyl)- [ACD/Index Name]
PERFLUORO DIMETHYLETHYLPENTANE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

M7RR804S1G [DBID]
UNII:M7RR804S1G [DBID]
UNII-M7RR804S1G [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 129.3±8.0 °C at 760 mmHg
    Vapour Pressure: 12.5±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 35.2±3.0 kJ/mol
    Flash Point: 42.9±10.2 °C
    Index of Refraction: 1.259
    Molar Refractivity: 46.7±0.3 cm3
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 8.64
    ACD/LogD (pH 5.5): 7.23
    ACD/BCF (pH 5.5): 182828.92
    ACD/KOC (pH 5.5): 203304.92
    ACD/LogD (pH 7.4): 7.23
    ACD/BCF (pH 7.4): 182828.92
    ACD/KOC (pH 7.4): 203304.92
    Polar Surface Area: 0 Å2
    Polarizability: 18.5±0.5 10-24cm3
    Surface Tension: 12.3±3.0 dyne/cm
    Molar Volume: 286.5±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) =  6.80

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  126.87  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -43.99  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  14  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.0002394
       log Kow used: 6.80 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.4426e-006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.67E+006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.756E+004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.80  (KowWin est)
  Log Kaw used:  8.038  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  -1.238
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -2.8226
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):  -1.2927  (recalcitrant)
   Biowin4 (Primary Survey Model) :   1.1578  (recalcitrant)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1218
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5008
 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):  1.75E+003 Pa (13.1 mm Hg)
  Log Koa (Koawin est  ): -1.238
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.72E-009 
       Octanol/air (Koa) model:  1.42E-014 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.2E-008 
       Mackay model           :  1.37E-007 
       Octanol/air (Koa) model:  1.14E-012 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 9.97E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.009E+007
      Log Koc:  7.004 

 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 = 4.539 (BCF = 3.458e+004)
       log Kow used: 6.80 (estimated)

 Volatilization from Water:
    Henry LC:  2.67E+006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.254  hours
    Half-Life from Model Lake :      209.8  hours   (8.743 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:             100.00  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    59.66  percent
    Total to Air:               40.17  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.3             1e+005       1000       
   Water     1.51            4.32e+003    1000       
   Soil      0.0124          8.64e+003    1000       
   Sediment  97.2            3.89e+004    0          
     Persistence Time: 5.42e+003 hr

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