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Search term: 2832-19-1 (Found by approved synonym)
ChemSpider 2D Image | AB5733000 | C3H6ClNO2

AB5733000

  • Molecular FormulaC3H6ClNO2
  • Average mass123.538 Da
  • Monoisotopic mass123.008705 Da
  • ChemSpider ID56246

More details:

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

220-598-9 [EINECS]
2832-19-1 [RN]
2-Chlor-N-(hydroxymethyl)acetamid [German] [ACD/IUPAC Name]
2-Chloro-N-(hydroxymethyl)acetamide [ACD/IUPAC Name]
2-Chloro-N-(hydroxyméthyl)acétamide [French] [ACD/IUPAC Name]
AB5733000
Acetamide, 2-chloro-N-(hydroxymethyl)- [ACD/Index Name]
Chloracetamide-N-methanol
MFCD00021961 [MDL number]
N-hydroxymethylchloroacetamide
More...

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

20J873AX6G [DBID]
422835_ALDRICH [DBID]
AI3-62444 [DBID]
BRN 1811765 [DBID]
Caswell No. 192BB [DBID]
CCRIS 4390 [DBID]
EPA Pesticide Chemical Code 109501 [DBID]
NSC 9963 [DBID]
NSC9963 [DBID]
UNII:20J873AX6G [DBID]
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 374.0±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.9±6.0 kJ/mol
Flash Point: 180.0±23.7 °C
Index of Refraction: 1.471
Molar Refractivity: 26.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.32
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.93
ACD/LogD (pH 7.4): -0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.93
Polar Surface Area: 49 Å2
Polarizability: 10.3±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 92.9±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) =  -1.58

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  303.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  86.28  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.82E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000109 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):  1e+006
       log Kow used: -1.58 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.31E-012  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.584E-012 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.58  (KowWin est)
  Log Kaw used:  -9.588  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.008
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9462
   Biowin2 (Non-Linear Model)     :   0.9612
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8587  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9038  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7323
   Biowin6 (MITI Non-Linear Model):   0.7444
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4383
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0145 Pa (0.000109 mm Hg)
  Log Koa (Koawin est  ): 8.008
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000206 
       Octanol/air (Koa) model:  2.5E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0074 
       Mackay model           :  0.0162 
       Octanol/air (Koa) model:  0.002 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  19.3091 E-12 cm3/molecule-sec
      Half-Life =     0.554 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.647 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0118 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1
      Log Koc:  0.000 

 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 = 0.500 (BCF = 3.162)
       log Kow used: -1.58 (estimated)

 Volatilization from Water:
    Henry LC:  6.31E-012 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.031E+008  hours   (4.297E+006 days)
    Half-Life from Model Lake : 1.125E+009  hours   (4.688E+007 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  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       0.00015         13.3         1000       
   Water     39              360          1000       
   Soil      60.9            720          1000       
   Sediment  0.0713          3.24e+003    0          
     Persistence Time: 579 hr

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