ChemSpider 2D Image | myristyl fluoride | C14H29F

myristyl fluoride

  • Molecular FormulaC14H29F
  • Average mass216.378 Da
  • Monoisotopic mass216.225327 Da
  • ChemSpider ID71385

More details:

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

1-Fluorotetradecane [ACD/IUPAC Name]
1-Fluorotétradécane [French] [ACD/IUPAC Name]
1-Fluortetradecan [German] [ACD/IUPAC Name]
277-311-5 [EINECS]
593-33-9 [RN]
73180-09-3 [RN]
myristyl fluoride
Tetradecane, 1-fluoro- [ACD/Index Name]
Tetradecane, fluoro-
Tetradecyl fluoride
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD00042114 [DBID]
539163_ALDRICH [DBID]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 258.6±3.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.6±3.0 kJ/mol
Flash Point: 186.6±10.2 °C
Index of Refraction: 1.420
Molar Refractivity: 67.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 7.42
ACD/LogD (pH 5.5): 7.19
ACD/BCF (pH 5.5): 172739.23
ACD/KOC (pH 5.5): 195209.36
ACD/LogD (pH 7.4): 7.19
ACD/BCF (pH 7.4): 172739.23
ACD/KOC (pH 7.4): 195209.36
Polar Surface Area: 0 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 26.0±3.0 dyne/cm
Molar Volume: 265.1±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) =  7.16

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  244.94  (Adapted Stein & Brown method)
    Melting Pt (deg C):  2.17  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.057  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.02776
       log Kow used: 7.16 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.013302 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.54E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.846E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.16  (KowWin est)
  Log Kaw used:  1.427  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.733
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7530
   Biowin2 (Non-Linear Model)     :   0.8557
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0193  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8046  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7286
   Biowin6 (MITI Non-Linear Model):   0.1085
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7767
 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):  7.37 Pa (0.0553 mm Hg)
  Log Koa (Koawin est  ): 5.733
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.07E-007 
       Octanol/air (Koa) model:  1.33E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.47E-005 
       Mackay model           :  3.25E-005 
       Octanol/air (Koa) model:  1.06E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  16.2554 E-12 cm3/molecule-sec
      Half-Life =     0.658 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.896 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.36E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3.679E+004
      Log Koc:  4.566 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.222E-017  L/mol-sec
  Kb Half-Life at pH 8: 1.797E+015  years  
  Kb Half-Life at pH 7: 1.797E+016  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 3.094 (BCF = 1242)
       log Kow used: 7.16 (estimated)

 Volatilization from Water:
    Henry LC:  0.654 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.502  hours
    Half-Life from Model Lake :      139.7  hours   (5.822 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              96.68  percent
    Total biodegradation:        0.50  percent
    Total sludge adsorption:    77.93  percent
    Total to Air:               18.25  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.553           15.8         1000       
   Water     4.03            360          1000       
   Soil      28.9            720          1000       
   Sediment  66.6            3.24e+003    0          
     Persistence Time: 1.18e+003 hr

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