ChemSpider 2D Image | Perflenapent | C5F12

Perflenapent

  • Molecular FormulaC5F12
  • Average mass288.034 Da
  • Monoisotopic mass287.980835 Da
  • ChemSpider ID12154

More details:






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

211-647-5 [EINECS]
678-26-2 [RN]
7528
Dodecafluoropentane [ACD/IUPAC Name]
Dodécafluoropentane [French] [ACD/IUPAC Name]
Dodecafluorpentan [German] [ACD/IUPAC Name]
Fluorinert FC 87
Fluorinert PF 5050
Flutec PP 50
Pentane, 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoro- [ACD/Index Name]
More...

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

483AU1Y5CZ [DBID]
FC 87 [DBID]
PF 5050 [DBID]
QW 7437 [DBID]
R 4112 [DBID]
BRN 1712388 [DBID]
MOLI000988 [DBID]
UNII:483AU1Y5CZ [DBID]
UNII-483AU1Y5CZ [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 29.3±8.0 °C at 760 mmHg
Vapour Pressure: 650.7±0.1 mmHg at 25°C
Enthalpy of Vaporization: 26.4±3.0 kJ/mol
Flash Point: -16.1±10.2 °C
Index of Refraction: 1.241
Molar Refractivity: 27.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 853.55
ACD/KOC (pH 5.5): 4362.89
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 853.55
ACD/KOC (pH 7.4): 4362.89
Polar Surface Area: 0 Å2
Polarizability: 10.7±0.5 10-24cm3
Surface Tension: 10.8±3.0 dyne/cm
Molar Volume: 176.7±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) =  5.05
    Log Kow (Exper. database match) =  4.40
       Exper. Ref:  Pomona (1987)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  21.75  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -104.42  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  655  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -100 deg C
    BP  (exp database):  29.2 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.456
       log Kow used: 4.40 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.035849 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.50E+003  atm-m3/mole
   Group Method:   2.45E+003  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  5.444E+002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.40  (exp database)
  Log Kaw used:  5.156  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  -0.756
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.9822
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.9004  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.4231  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2666
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1666
 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):  8.73E+004 Pa (655 mm Hg)
  Log Koa (Koawin est  ): -0.756
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.44E-011 
       Octanol/air (Koa) model:  4.31E-014 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.24E-009 
       Mackay model           :  2.75E-009 
       Octanol/air (Koa) model:  3.44E-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): 1.99E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.216E+004
      Log Koc:  4.345 

 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 = 2.688 (BCF = 487.5)
       log Kow used: 4.40 (expkow database)

 Volatilization from Water:
    Henry LC:  3.5E+003 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.732  hours
    Half-Life from Model Lake :      161.2  hours   (6.717 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:             100.00  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:    29.97  percent
    Total to Air:               69.94  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       30.8            1e+005       1000       
   Water     31.5            4.32e+003    1000       
   Soil      0.235           8.64e+003    1000       
   Sediment  37.5            3.89e+004    0          
     Persistence Time: 289 hr




                    

Click to predict properties on the Chemicalize site





Feedback Form