Found 120 results

Search term: MF = 'C_{18}H_{22}Cl_{2}N_{2}O_{5}'

ChemSpider 2D Image | N'-{[3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropyl]carbonyl}-3,4,5-trimethoxybenzohydrazide | C18H22Cl2N2O5

N'-{[3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropyl]carbonyl}-3,4,5-trimethoxybenzohydrazide

  • Molecular FormulaC18H22Cl2N2O5
  • Average mass417.284 Da
  • Monoisotopic mass416.090576 Da
  • ChemSpider ID2389525

More details:






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

Benzoic acid, 3,4,5-trimethoxy-, 2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]carbonyl]hydrazide [ACD/Index Name]
N'-{[3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropyl]carbonyl}-3,4,5-trimethoxybenzohydrazide [ACD/IUPAC Name]
N'-{[3-(2,2-Dichlorovinyl)-2,2-diméthylcyclopropyl]carbonyl}-3,4,5-triméthoxybenzohydrazide [French] [ACD/IUPAC Name]
N'-{[3-(2,2-Dichlorvinyl)-2,2-dimethylcyclopropyl]carbonyl}-3,4,5-trimethoxybenzohydrazid [German] [ACD/IUPAC Name]
3-(2,2-dichlorovinyl)-2,2-dimethyl-N'-(3,4,5-trimethoxybenzoyl)cyclopropanecarbohydrazide
312507-12-3 [RN]
AC1MJG98
AGN-PC-0JZOIT
AKOS000577071
AKOS022101982
More...

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

A1927/0081090 [DBID]
AG-205/12235081 [DBID]
BAS 02052812 [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: 609.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.5±3.0 kJ/mol
    Flash Point: 322.1±31.5 °C
    Index of Refraction: 1.585
    Molar Refractivity: 105.2±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.48
    ACD/LogD (pH 5.5): 3.20
    ACD/BCF (pH 5.5): 158.12
    ACD/KOC (pH 5.5): 1305.11
    ACD/LogD (pH 7.4): 3.19
    ACD/BCF (pH 7.4): 157.70
    ACD/KOC (pH 7.4): 1301.62
    Polar Surface Area: 86 Å2
    Polarizability: 41.7±0.5 10-24cm3
    Surface Tension: 49.2±3.0 dyne/cm
    Molar Volume: 313.9±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) =  3.12
    
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  578.70  (Adapted Stein & Brown method)
        Melting Pt (deg C):  249.36  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  9.63E-013  (Modified Grain method)
        Subcooled liquid VP: 2.64E-010 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):  5.2
           log Kow used: 3.12 (estimated)
           no-melting pt equation used
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  52.825 mg/L
    
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Hydrazines
           Vinyl/Allyl Halides
    
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   9.15E-015  atm-m3/mole
       Group Method:   Incomplete
     Henrys LC [VP/WSol estimate using EPI values]:  1.017E-013 atm-m3/mole
    
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  3.12  (KowWin est)
      Log Kaw used:  -12.427  (HenryWin est)
          Log Koa (KOAWIN v1.10 estimate):  15.547
          Log Koa (experimental database):  None
    
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   0.5379
       Biowin2 (Non-Linear Model)     :   0.1679
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   1.5442  (recalcitrant)
       Biowin4 (Primary Survey Model) :   3.1224  (weeks       )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :  -0.1972
       Biowin6 (MITI Non-Linear Model):   0.0000
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model):  0.4232
     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):  3.52E-008 Pa (2.64E-010 mm Hg)
      Log Koa (Koawin est  ): 15.547
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  85.2 
           Octanol/air (Koa) model:  865 
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  1 
           Mackay model           :  1 
           Octanol/air (Koa) model:  1 
    
     Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
       Hydroxyl Radicals Reaction:
          OVERALL OH Rate Constant = 104.3547 E-12 cm3/molecule-sec
          Half-Life =     0.102 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =     1.230 Hrs
       Ozone Reaction:
          OVERALL Ozone Rate Constant =     0.023261 E-17 cm3/molecule-sec
          Half-Life =    49.268 Days (at 7E11 mol/cm3)
       Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
        Note: the sorbed fraction may be resistant to atmospheric oxidation
    
     Soil Adsorption Coefficient (PCKOCWIN v1.66):
          Koc    :  1.149E+004
          Log Koc:  4.060 
    
     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 = 1.701 (BCF = 50.19)
           log Kow used: 3.12 (estimated)
    
     Volatilization from Water:
        Henry LC:  9.15E-015 atm-m3/mole  (estimated by Bond SAR Method)
        Half-Life from Model River: 1.307E+011  hours   (5.446E+009 days)
        Half-Life from Model Lake : 1.426E+012  hours   (5.941E+010 days)
    
     Removal In Wastewater Treatment:
        Total removal:               6.85  percent
        Total biodegradation:        0.13  percent
        Total sludge adsorption:     6.72  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       0.000103        2.45         1000       
       Water     6.16            4.32e+003    1000       
       Soil      93.6            8.64e+003    1000       
       Sediment  0.237           3.89e+004    0          
         Persistence Time: 6.8e+003 hr
    
    
    
    
                        

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