ChemSpider 2D Image | Fenchlorphos-oxon | C8H8Cl3O4P

Fenchlorphos-oxon

  • Molecular FormulaC8H8Cl3O4P
  • Average mass305.479 Da
  • Monoisotopic mass303.922577 Da
  • ChemSpider ID70007

More details:

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

223-624-7 [EINECS]
3983-45-7 [RN]
Dimethyl (2,4,5-trichlorophenyl) phosphate
Dimethyl 2,4,5-trichlorophenyl phosphate [ACD/IUPAC Name]
Dimethyl-2,4,5-trichlorphenylphosphat
Dimethyl-2,4,5-trichlorphenylphosphat [German] [ACD/IUPAC Name]
Fenchlorphos-oxon
Phosphate de diméthyle et de 2,4,5-trichlorophényle
Phosphate de diméthyle et de 2,4,5-trichlorophényle [French] [ACD/IUPAC Name]
Phosphoric acid, dimethyl 2,4,5-trichlorophenyl ester [ACD/Index Name]
More...

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

AI3-24682 [DBID]
BRN 1987935 [DBID]
Dowco 101 [DBID]
NSC 133018 [DBID]
NSC133018 [DBID]
  • Gas Chromatography

    • Retention Index (Normal Alkane):

      1826.6 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.247 mm; Column length: 15 m; Column type: Capillary; Description: 1 min at 90 C; 90-150 C at 20 deg/min; 150-250 C at 5 deg/min; hold at 250 C for elution of last component; CAS no: 3983457; Active phase: SE-30; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Ripley, B.D.; Braun, H.E., Retention time data for organochlorine, organophosphorus, and organonitrogen pesticides on SE-30 capillary column and application of capillary gas chromatography to pesticide residue analysis, J. Ass. Offic. Anal. Chem, 66(5), 1983, 1084-1095.) NIST Spectra nist ri

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

Density: 1.5±0.1 g/cm3
Boiling Point: 325.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.5±3.0 kJ/mol
Flash Point: 207.2±35.5 °C
Index of Refraction: 1.530
Molar Refractivity: 62.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 154.55
ACD/KOC (pH 5.5): 1283.93
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 154.55
ACD/KOC (pH 7.4): 1283.93
Polar Surface Area: 55 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 202.7±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) =  3.10

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  352.25  (Adapted Stein & Brown method)
    Melting Pt (deg C):  83.51  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.22E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000117 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  25.72
       log Kow used: 3.10 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  544.68 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.75E-008  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.032E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.10  (KowWin est)
  Log Kaw used:  -5.814  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.914
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3688
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0580  (months      )
   Biowin4 (Primary Survey Model) :   3.3763  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0062
   Biowin6 (MITI Non-Linear Model):   0.0039
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1937
 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):  0.0156 Pa (0.000117 mm Hg)
  Log Koa (Koawin est  ): 8.914
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000192 
       Octanol/air (Koa) model:  0.000201 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0069 
       Mackay model           :  0.0152 
       Octanol/air (Koa) model:  0.0159 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.7927 E-12 cm3/molecule-sec
      Half-Life =     1.846 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    22.157 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.011 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  48.75
      Log Koc:  1.688 

 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 = 0.906 (BCF = 8.062)
       log Kow used: 3.10 (estimated)

 Volatilization from Water:
    Henry LC:  3.75E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.729E+004  hours   (1137 days)
    Half-Life from Model Lake : 2.979E+005  hours   (1.241E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               6.64  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:     6.50  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.151           44.3         1000       
   Water     11.3            1.44e+003    1000       
   Soil      88.2            2.88e+003    1000       
   Sediment  0.359           1.3e+004     0          
     Persistence Time: 2.39e+003 hr

Click to predict properties on the Chemicalize site


Advertisement