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Search term: MF = 'C_{6}H_{11}FO_{2}'
ChemSpider 2D Image | 2-[(3-Fluoropropoxy)methyl]oxirane | C6H11FO2

2-[(3-Fluoropropoxy)methyl]oxirane

  • Molecular FormulaC6H11FO2
  • Average mass134.149 Da
  • Monoisotopic mass134.074310 Da
  • ChemSpider ID18939173

More details:

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

2-[(3-Fluoropropoxy)methyl]oxirane [ACD/IUPAC Name]
2-[(3-Fluoropropoxy)méthyl]oxirane [French] [ACD/IUPAC Name]
2-[(3-Fluorpropoxy)methyl]oxiran [German] [ACD/IUPAC Name]
Oxirane, 2-[(3-fluoropropoxy)methyl]- [ACD/Index Name]
1346521-52-5 [RN]
3-Fluoro-1-(oxiran-2-ylmethoxy)propane
3-Fluoro-1-(oxiran-2-ylmethoxy)propane|Glycidyl 3-fluoropropyl ether
Glycidyl 3-fluoropropyl ether
MFCD20489365 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 170.8±20.0 °C at 760 mmHg
Vapour Pressure: 1.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.0±3.0 kJ/mol
Flash Point: 63.3±17.7 °C
Index of Refraction: 1.409
Molar Refractivity: 31.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.17
ACD/KOC (pH 5.5): 39.06
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.17
ACD/KOC (pH 7.4): 39.06
Polar Surface Area: 22 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 30.4±3.0 dyne/cm
Molar Volume: 126.7±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) =  0.53

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  133.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -42.18  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  10.7  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.124e+004
       log Kow used: 0.53 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  57620 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.55E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.046E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.53  (KowWin est)
  Log Kaw used:  -3.572  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.102
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0110
   Biowin2 (Non-Linear Model)     :   0.0032
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8854  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6347  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5632
   Biowin6 (MITI Non-Linear Model):   0.0236
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3450
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.33E+003 Pa (9.94 mm Hg)
  Log Koa (Koawin est  ): 4.102
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.26E-009 
       Octanol/air (Koa) model:  3.1E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.18E-008 
       Mackay model           :  1.81E-007 
       Octanol/air (Koa) model:  2.48E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  16.6159 E-12 cm3/molecule-sec
      Half-Life =     0.644 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.725 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.31E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.828
      Log Koc:  0.451 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Ka (acid-catalyzed) at 25 deg C :  3.545E-003  L/mol-sec
  Ka Half-Life at pH 7:      61.947  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: 0.53 (estimated)

 Volatilization from Water:
    Henry LC:  6.55E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      104.7  hours   (4.363 days)
    Half-Life from Model Lake :       1239  hours   (51.64 days)

 Removal In Wastewater Treatment:
    Total removal:               2.22  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.37  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.04            15.4         1000       
   Water     46.4            360          1000       
   Soil      51.5            720          1000       
   Sediment  0.0876          3.24e+003    0          
     Persistence Time: 336 hr

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