ChemSpider 2D Image | terbuchlor | C18H28ClNO2

terbuchlor

  • Molecular FormulaC18H28ClNO2
  • Average mass325.873 Da
  • Monoisotopic mass325.180847 Da
  • ChemSpider ID144819

More details:

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

4212-93-5 [RN]
Acetamide, N-(butoxymethyl)-2-chloro-N-[2-(1,1-dimethylethyl)-6-methylphenyl]- [ACD/Index Name]
N-(Butoxymethyl)-2-chlor-N-[2-methyl-6-(2-methyl-2-propanyl)phenyl]acetamid [German] [ACD/IUPAC Name]
N-(Butoxymethyl)-2-chloro-N-[2-(1,1-dimethylethyl)-6-methylphenyl]acetamide
N-(Butoxymethyl)-2-chloro-N-[2-methyl-6-(2-methyl-2-propanyl)phenyl]acetamide [ACD/IUPAC Name]
N-(Butoxyméthyl)-2-chloro-N-[2-méthyl-6-(2-méthyl-2-propanyl)phényl]acétamide [French] [ACD/IUPAC Name]
N-(Butoxymethyl)-6'-tert-butyl-2-chloro-o-acetoluidide
N-(Butoxymethyl)-N-(2-tert-butyl-6-methylphenyl)-2-chloracetamid
N-(butoxymethyl)-N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide
N-Butoxymethyl-6'-tert-butyl-2-chloroacet-o-toluidide
More...

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

H84TRN22MQ [DBID]
Caswell No. 821C [DBID]
EPA Pesticide Chemical Code 221400 [DBID]
UNII:H84TRN22MQ [DBID]
UNII-H84TRN22MQ [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 430.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 214.2±28.7 °C
Index of Refraction: 1.520
Molar Refractivity: 93.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1660.56
ACD/KOC (pH 5.5): 7024.96
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1660.71
ACD/KOC (pH 7.4): 7025.62
Polar Surface Area: 30 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 307.8±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) =  5.22

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  412.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  155.58  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.86E-007  (Modified Grain method)
    Subcooled liquid VP: 4.01E-006 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):  0.3005
       log Kow used: 5.22 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  9.4001 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.94E-008  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.654E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.22  (KowWin est)
  Log Kaw used:  -5.547  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.767
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3230
   Biowin2 (Non-Linear Model)     :   0.0290
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2543  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5197  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2543
   Biowin6 (MITI Non-Linear Model):   0.0307
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.5021
 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):  0.000535 Pa (4.01E-006 mm Hg)
  Log Koa (Koawin est  ): 10.767
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00561 
       Octanol/air (Koa) model:  0.0144 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.169 
       Mackay model           :  0.31 
       Octanol/air (Koa) model:  0.535 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  54.8681 E-12 cm3/molecule-sec
      Half-Life =     0.195 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.339 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.239 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1368
      Log Koc:  3.136 

 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 = 3.320 (BCF = 2090)
       log Kow used: 5.22 (estimated)

 Volatilization from Water:
    Henry LC:  6.94E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.523E+004  hours   (634.6 days)
    Half-Life from Model Lake : 1.663E+005  hours   (6930 days)

 Removal In Wastewater Treatment:
    Total removal:              83.55  percent
    Total biodegradation:        0.72  percent
    Total sludge adsorption:    82.84  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       0.0984          4.68         1000       
   Water     9.04            900          1000       
   Soil      57.8            1.8e+003     1000       
   Sediment  33              8.1e+003     0          
     Persistence Time: 1.74e+003 hr

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