ChemSpider 2D Image | amiprofos-methyl | C11H17N2O4PS

amiprofos-methyl

  • Molecular FormulaC11H17N2O4PS
  • Average mass304.302 Da
  • Monoisotopic mass304.064667 Da
  • ChemSpider ID90823

More details:

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

Amiprophos methyl
36001-88-4 [RN]
Amiprofos methyl
amiprofos-methyl [ISO]
Amiprophos-methyl
D130E8V1ON
Isopropylphosphoramidothioate de O-méthyle et de O-(4-méthyl-2-nitrophényle) [French] [ACD/IUPAC Name]
MFCD00467096
O-Methyl O-(2-nitro-p-tolyl) N-isopropylphosphoramidothionate
O-Methyl O-(4-Methyl-2-nitrophenyl) (1-Methylethyl)phosphoroamidothioate
More...

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

2000833 [DBID]
03992_FLUKA [DBID]
BRN 2000833 [DBID]
NSC 313446 [DBID]
NSC313446 [DBID]
NTN 2975 [DBID]
NTN 6867 [DBID]
NTN 80 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 389.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.9±3.0 kJ/mol
Flash Point: 189.6±30.7 °C
Index of Refraction: 1.564
Molar Refractivity: 77.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 299.55
ACD/KOC (pH 5.5): 2061.86
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 299.55
ACD/KOC (pH 7.4): 2061.87
Polar Surface Area: 118 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 238.6±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) =  3.78

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  385.83  (Adapted Stein & Brown method)
    Melting Pt (deg C):  84.16  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.97E-006  (Modified Grain method)
    Subcooled liquid VP: 1.83E-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):  2.769
       log Kow used: 3.78 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  9.6487 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Esters
       Esters (phosphate)
       Nearest analog analysis: pesticides

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.56E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.187E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.78  (KowWin est)
  Log Kaw used:  -6.729  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.509
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3523
   Biowin2 (Non-Linear Model)     :   0.0375
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2823  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2318  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.3641
   Biowin6 (MITI Non-Linear Model):   0.0003
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4406
 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):  0.00244 Pa (1.83E-005 mm Hg)
  Log Koa (Koawin est  ): 10.509
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00123 
       Octanol/air (Koa) model:  0.00793 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0425 
       Mackay model           :  0.0896 
       Octanol/air (Koa) model:  0.388 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 252.8543 E-12 cm3/molecule-sec
      Half-Life =     0.042 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.508 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.066 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1852
      Log Koc:  3.268 

 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 = 2.214 (BCF = 163.6)
       log Kow used: 3.78 (estimated)

 Volatilization from Water:
    Henry LC:  4.56E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  2.24E+005  hours   (9332 days)
    Half-Life from Model Lake : 2.444E+006  hours   (1.018E+005 days)

 Removal In Wastewater Treatment:
    Total removal:              21.12  percent
    Total biodegradation:        0.25  percent
    Total sludge adsorption:    20.87  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       0.0195          1.02         1000       
   Water     14              900          1000       
   Soil      84              1.8e+003     1000       
   Sediment  1.97            8.1e+003     0          
     Persistence Time: 1.41e+003 hr

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