ChemSpider 2D Image | 10-Fluoro-1-decanol | C10H21FO

10-Fluoro-1-decanol

  • Molecular FormulaC10H21FO
  • Average mass176.271 Da
  • Monoisotopic mass176.157639 Da
  • ChemSpider ID9173

More details:

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

10-Fluor-1-decanol [German] [ACD/IUPAC Name]
10-Fluoro-1-decanol [ACD/IUPAC Name]
10-Fluoro-1-décanol [French] [ACD/IUPAC Name]
10-Fluorodecan-1-ol
1-Decanol, 10-fluoro- [ACD/Index Name]
10-Fluordekanol [Czech]
10-Fluoro-decan-1-ol
10-Fluorodecanol
334-64-5 [RN]
4-01-00-01821 [Beilstein]
More...

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

BRN 1738592 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 241.8±5.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 55.6±6.0 kJ/mol
Flash Point: 132.4±9.3 °C
Index of Refraction: 1.423
Molar Refractivity: 50.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 82.45
ACD/KOC (pH 5.5): 818.87
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 82.45
ACD/KOC (pH 7.4): 818.87
Polar Surface Area: 20 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 29.0±3.0 dyne/cm
Molar Volume: 196.6±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) =  3.73

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  240.38  (Adapted Stein & Brown method)
    Melting Pt (deg C):  8.70  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00603  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  22 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  121.6
       log Kow used: 3.73 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  37.022 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.86E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.150E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.73  (KowWin est)
  Log Kaw used:  -2.552  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.282
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8224
   Biowin2 (Non-Linear Model)     :   0.8353
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9696  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7229  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8604
   Biowin6 (MITI Non-Linear Model):   0.2224
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.2287
 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):  0.764 Pa (0.00573 mm Hg)
  Log Koa (Koawin est  ): 6.282
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.93E-006 
       Octanol/air (Koa) model:  4.7E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000142 
       Mackay model           :  0.000314 
       Octanol/air (Koa) model:  3.76E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  14.8610 E-12 cm3/molecule-sec
      Half-Life =     0.720 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.637 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.000228 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  177.4
      Log Koc:  2.249 

 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 = 2.171 (BCF = 148.2)
       log Kow used: 3.73 (estimated)

 Volatilization from Water:
    Henry LC:  6.86E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      12.69  hours
    Half-Life from Model Lake :      249.7  hours   (10.41 days)

 Removal In Wastewater Treatment:
    Total removal:              21.94  percent
    Total biodegradation:        0.23  percent
    Total sludge adsorption:    18.88  percent
    Total to Air:                2.83  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.69            17.3         1000       
   Water     21.3            360          1000       
   Soil      75.5            720          1000       
   Sediment  1.52            3.24e+003    0          
     Persistence Time: 454 hr

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