Found 13 results

Search term: MF = 'C_{7}H_{5}Cl_{3}N_{2}O_{3}'
ChemSpider 2D Image | 1-(Aminooxy)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]ethanone | C7H5Cl3N2O3

1-(Aminooxy)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]ethanone

  • Molecular FormulaC7H5Cl3N2O3
  • Average mass271.485 Da
  • Monoisotopic mass269.936584 Da
  • ChemSpider ID137048

More details:

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

1-(Aminooxy)-2-[(3,5,6-trichlor-2-pyridinyl)oxy]ethanon [German] [ACD/IUPAC Name]
1-(Aminooxy)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]ethanone [ACD/IUPAC Name]
1-(Aminooxy)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-(aminooxy)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]- [ACD/Index Name]
70915-71-8 [RN]
AMINO 2-(3,5,6-TRICHLOROPYRIDIN-2-YL)OXYACETATE
Triclopyr amine

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

Density: 1.6±0.1 g/cm3
Boiling Point: 373.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.1±3.0 kJ/mol
Flash Point: 180.0±30.7 °C
Index of Refraction: 1.584
Molar Refractivity: 55.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.00
ACD/KOC (pH 5.5): 297.14
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.00
ACD/KOC (pH 7.4): 297.14
Polar Surface Area: 74 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 166.2±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) =  1.09

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  340.08  (Adapted Stein & Brown method)
    Melting Pt (deg C):  121.65  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.48E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000227 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):  2112
       log Kow used: 1.09 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.5287e+005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.22E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.195E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.09  (KowWin est)
  Log Kaw used:  -6.763  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.853
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0484
   Biowin2 (Non-Linear Model)     :   0.0019
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7071  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.0184  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1423
   Biowin6 (MITI Non-Linear Model):   0.0104
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3789
 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):  0.0303 Pa (0.000227 mm Hg)
  Log Koa (Koawin est  ): 7.853
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.91E-005 
       Octanol/air (Koa) model:  1.75E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00357 
       Mackay model           :  0.00787 
       Octanol/air (Koa) model:  0.0014 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  22.8124 E-12 cm3/molecule-sec
      Half-Life =     0.469 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.626 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00572 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  334.3
      Log Koc:  2.524 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.709E+002  L/mol-sec
  Kb Half-Life at pH 8:       1.127  hours  
  Kb Half-Life at pH 7:      11.267  hours  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.137 (BCF = 1.372)
       log Kow used: 1.09 (estimated)

 Volatilization from Water:
    Henry LC:  4.22E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.286E+005  hours   (9525 days)
    Half-Life from Model Lake : 2.494E+006  hours   (1.039E+005 days)

 Removal In Wastewater Treatment:
    Total removal:               1.90  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.80  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       0.0316          11.3         1000       
   Water     46.3            4.32e+003    1000       
   Soil      53.6            8.64e+003    1000       
   Sediment  0.103           3.89e+004    0          
     Persistence Time: 1.66e+003 hr

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