ChemSpider 2D Image | HFPME | C4H4F6O

HFPME

  • Molecular FormulaC4H4F6O
  • Average mass182.064 Da
  • Monoisotopic mass182.016632 Da
  • ChemSpider ID2058620

More details:

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

1,1,1,2,3,3-Hexafluor-3-methoxypropan [German] [ACD/IUPAC Name]
1,1,1,2,3,3-Hexafluoro-3-methoxypropane [ACD/IUPAC Name]
1,1,1,2,3,3-Hexafluoro-3-méthoxypropane [French] [ACD/IUPAC Name]
1,1,1,2,3,3-Hexafluoropropyl methyl ether
1,1,2,3,3,3-hexafluoro-1-methoxypropane
1,1,2,3,3,3-Hexafluoropropyl methyl ether
382-34-3 [RN]
HFPME
Propane, 1,1,1,2,3,3-hexafluoro-3-methoxy- [ACD/Index Name]
[382-34-3] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AI3-22252 [DBID]
MFCD00041537 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 20.0±40.0 °C at 760 mmHg
Vapour Pressure: 908.7±0.0 mmHg at 25°C
Enthalpy of Vaporization: 25.6±3.0 kJ/mol
Flash Point: -29.6±23.2 °C
Index of Refraction: 1.276
Molar Refractivity: 23.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.29
ACD/KOC (pH 5.5): 310.65
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.29
ACD/KOC (pH 7.4): 310.65
Polar Surface Area: 9 Å2
Polarizability: 9.2±0.5 10-24cm3
Surface Tension: 13.2±3.0 dyne/cm
Molar Volume: 134.1±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) =  2.36

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -7.07  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -120.25  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.24E+003  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  522.2
       log Kow used: 2.36 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  763.79 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.42E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.487E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.36  (KowWin est)
  Log Kaw used:  0.586  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.774
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.3908
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0631  (months      )
   Biowin4 (Primary Survey Model) :   3.1475  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2936
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0008
 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):  2.92E+005 Pa (2.19E+003 mm Hg)
  Log Koa (Koawin est  ): 1.774
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.03E-011 
       Octanol/air (Koa) model:  1.46E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.71E-010 
       Mackay model           :  8.22E-010 
       Octanol/air (Koa) model:  1.17E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0274 E-12 cm3/molecule-sec
      Half-Life =   389.894 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.97E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  73.53
      Log Koc:  1.866 

 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 = 1.115 (BCF = 13.03)
       log Kow used: 2.36 (estimated)

 Volatilization from Water:
    Henry LC:  0.0942 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.385  hours
    Half-Life from Model Lake :      128.3  hours   (5.344 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              97.34  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.83  percent
    Total to Air:               96.49  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       49.8            9.36e+003    1000       
   Water     48.2            1.44e+003    1000       
   Soil      1.66            2.88e+003    1000       
   Sediment  0.321           1.3e+004     0          
     Persistence Time: 174 hr

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