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Search term: JCRVQXKRULILSR-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1H,8H-Perfluorooctane | C8H2F16

1H,8H-Perfluorooctane

  • Molecular FormulaC8H2F16
  • Average mass402.076 Da
  • Monoisotopic mass401.990112 Da
  • ChemSpider ID2056590

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

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluoroctan [German] [ACD/IUPAC Name]
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluorooctane [ACD/IUPAC Name]
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadécafluorooctane [French] [ACD/IUPAC Name]
1H,8H-Perfluorooctane
307-99-3 [RN]
Octane, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro- [ACD/Index Name]
[307-99-3] [RN]
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluorooctane, 1H,8H-Hexadecafluorooctane
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluorooctane; 1H,8H-Hexadecafluorooctane
1H,8H-Hexadecafluorooctane
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD00155850 [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 140.1±8.0 °C at 760 mmHg
    Vapour Pressure: 7.8±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 36.2±3.0 kJ/mol
    Flash Point: 43.2±10.2 °C
    Index of Refraction: 1.265
    Molar Refractivity: 41.4±0.3 cm3
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 5.36
    ACD/LogD (pH 5.5): 5.26
    ACD/BCF (pH 5.5): 5822.51
    ACD/KOC (pH 5.5): 17244.78
    ACD/LogD (pH 7.4): 5.26
    ACD/BCF (pH 7.4): 5822.51
    ACD/KOC (pH 7.4): 17244.78
    Polar Surface Area: 0 Å2
    Polarizability: 16.4±0.5 10-24cm3
    Surface Tension: 12.5±3.0 dyne/cm
    Molar Volume: 248.8±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) =  6.74

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  95.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -78.50  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  51.2  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.000952
       log Kow used: 6.74 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  9.0919e-005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.23E+004  atm-m3/mole
   Group Method:   9.74E+002  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.845E+004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.74  (KowWin est)
  Log Kaw used:  6.121  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  0.619
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.5475
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.0379  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.3470  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0984
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.5010
 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):  6.53E+003 Pa (49 mm Hg)
  Log Koa (Koawin est  ): 0.619
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.59E-010 
       Octanol/air (Koa) model:  1.02E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.66E-008 
       Mackay model           :  3.67E-008 
       Octanol/air (Koa) model:  8.17E-011 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0006 E-12 cm3/molecule-sec
      Half-Life = 17332.491 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.67E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.031E+006
      Log Koc:  6.013 

 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 = 4.487 (BCF = 3.067e+004)
       log Kow used: 6.74 (estimated)

 Volatilization from Water:
    Henry LC:  974 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.046  hours
    Half-Life from Model Lake :      190.5  hours   (7.936 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:             100.00  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    59.63  percent
    Total to Air:               40.19  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.34            4.16e+005    1000       
   Water     1.55            4.32e+003    1000       
   Soil      0.0986          8.64e+003    1000       
   Sediment  97              3.89e+004    0          
     Persistence Time: 5.3e+003 hr

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