Found 2236 results

Search term: MF = 'C_{15}H_{18}Cl_{2}N_{2}O_{2}'
ChemSpider 2D Image | (3,4-Dichlorophenyl){[(E)-(1,2,5-trimethyl-4-piperidinylidene)amino]oxy}methanone | C15H18Cl2N2O2

(3,4-Dichlorophenyl){[(E)-(1,2,5-trimethyl-4-piperidinylidene)amino]oxy}methanone

  • Molecular FormulaC15H18Cl2N2O2
  • Average mass329.222 Da
  • Monoisotopic mass328.074524 Da
  • ChemSpider ID4661070

  • Double-bond stereo - Double-bond stereo

More details:

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

(3,4-Dichlorophenyl){[(E)-(1,2,5-trimethyl-4-piperidinylidene)amino]oxy}methanone [ACD/IUPAC Name]
(3,4-Dichlorophényl){[(E)-(1,2,5-triméthyl-4-pipéridinylidène)amino]oxy}méthanone [French] [ACD/IUPAC Name]
(3,4-Dichlorphenyl){[(E)-(1,2,5-trimethyl-4-piperidinyliden)amino]oxy}methanon [German] [ACD/IUPAC Name]
4-Piperidinone, 1,2,5-trimethyl-, O-(3,4-dichlorobenzoyl)oxime, (4E)- [ACD/Index Name]
(3,4-dichlorophenyl)({[(4E)-1,2,5-trimethylpiperidin-4-ylidene]amino}oxy)methanone
(4E)-1,2,5-trimethylpiperidin-4-one O-(3,4-dichlorobenzoyl)oxime
(E)-1,2,5-trimethylpiperidin-4-one O-(3,4-dichlorobenzoyl) oxime
[(1,2,5-TRIMETHYLPIPERIDIN-4-YLIDENE)AMINO] 3,4-DICHLOROBENZOATE
[(E)-(1,2,5-trimethylpiperidin-4-ylidene)amino] 3,4-dichlorobenzoate
1,2,5-trimethyl-4-piperidinone O-(3,4-dichlorobenzoyl)oxime
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AJ-292/12693026 [DBID]
BAS 01088772 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 428.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.4±3.0 kJ/mol
    Flash Point: 212.9±31.5 °C
    Index of Refraction: 1.584
    Molar Refractivity: 84.5±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.03
    ACD/LogD (pH 5.5): 2.93
    ACD/BCF (pH 5.5): 50.16
    ACD/KOC (pH 5.5): 253.99
    ACD/LogD (pH 7.4): 4.09
    ACD/BCF (pH 7.4): 728.36
    ACD/KOC (pH 7.4): 3687.85
    Polar Surface Area: 42 Å2
    Polarizability: 33.5±0.5 10-24cm3
    Surface Tension: 40.8±7.0 dyne/cm
    Molar Volume: 252.4±7.0 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) =  4.29

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  384.63  (Adapted Stein & Brown method)
    Melting Pt (deg C):  140.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.35E-006  (Modified Grain method)
    Subcooled liquid VP: 1.96E-005 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):  1.787
       log Kow used: 4.29 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  9.3555 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.82E-008  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.273E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.29  (KowWin est)
  Log Kaw used:  -5.938  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.228
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0207
   Biowin2 (Non-Linear Model)     :   0.0004
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.8036  (months      )
   Biowin4 (Primary Survey Model) :   2.7541  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2496
   Biowin6 (MITI Non-Linear Model):   0.0005
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.7294
 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):  0.00261 Pa (1.96E-005 mm Hg)
  Log Koa (Koawin est  ): 10.228
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00115 
       Octanol/air (Koa) model:  0.00415 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0398 
       Mackay model           :  0.0841 
       Octanol/air (Koa) model:  0.249 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 105.1882 E-12 cm3/molecule-sec
      Half-Life =     0.102 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.220 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.062 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.014E+004
      Log Koc:  4.304 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  3.926E+000  L/mol-sec
  Kb Half-Life at pH 8:       2.043  days   
  Kb Half-Life at pH 7:      20.431  days   

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.604 (BCF = 401.9)
       log Kow used: 4.29 (estimated)

 Volatilization from Water:
    Henry LC:  2.82E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.767E+004  hours   (1570 days)
    Half-Life from Model Lake : 4.111E+005  hours   (1.713E+004 days)

 Removal In Wastewater Treatment:
    Total removal:              44.73  percent
    Total biodegradation:        0.44  percent
    Total sludge adsorption:    44.29  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       0.0433          2.44         1000       
   Water     11.1            1.44e+003    1000       
   Soil      82.1            2.88e+003    1000       
   Sediment  6.71            1.3e+004     0          
     Persistence Time: 2.02e+003 hr

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