ChemSpider 2D Image | Methyl dichlorophosphite | CH3Cl2OP

Methyl dichlorophosphite

  • Molecular FormulaCH3Cl2OP
  • Average mass132.914 Da
  • Monoisotopic mass131.929855 Da
  • ChemSpider ID69224

More details:






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

221-915-3 [EINECS]
3279-26-3 [RN]
Methyl dichlorophosphite
methyl phosphorodichloridite
Methyl phosphorodichloridoite [ACD/IUPAC Name]
Methylphosphorodichloridoit [German] [ACD/IUPAC Name]
MFCD00000524 [MDL number]
Phosphorodichloridoite de méthyle [French] [ACD/IUPAC Name]
Phosphorodichloridous acid, methyl ester [ACD/Index Name]
[3279-26-3]
More...

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

235229_ALDRICH [DBID]
66625_FLUKA [DBID]
CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      colourless liquid Oxford University Chemical Safety Data (No longer updated) More details
      Not Available Novochemy [NC-35931]
    • Stability:

      Flammable. Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      10/14/1934 Alfa Aesar L04588
      10/14/1934 12:00:00 AM Alfa Aesar L04588
      10-14-34 Alfa Aesar L04588
      20/21/22 Novochemy [NC-35931]
      20/21/36/37/39 Novochemy [NC-35931]
      26-36/37/39-45 Alfa Aesar L04588
      8 Alfa Aesar L04588
      CORROSIVE Alfa Aesar L04588
      Danger Alfa Aesar L04588
      DANGER: CORROSIVE, FLAMMABLE, burns skin and eyes Alfa Aesar L04588
      GHS07; GHS09 Novochemy [NC-35931]
      H314-H226-EUH014 Alfa Aesar L04588
      H332; H403 Novochemy [NC-35931]
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-35931]
      P210-P260-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar L04588
      Safety glasses, gloves, adequate ventilation. Oxford University Chemical Safety Data (No longer updated) More details
      Warning Novochemy [NC-35931]
      Xn Novochemy [NC-35931]

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

Density:
Boiling Point: 89.4±9.0 °C at 760 mmHg
Vapour Pressure: 66.3±0.2 mmHg at 25°C
Enthalpy of Vaporization: 31.6±3.0 kJ/mol
Flash Point: 7.9±18.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.48
ACD/KOC (pH 5.5): 269.73
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.48
ACD/KOC (pH 7.4): 269.73
Polar Surface Area: 23 Å2
Polarizability:
Surface Tension:
Molar Volume:

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.10

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  90.13  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -68.73  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  57  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.036e+004
       log Kow used: 1.10 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  12430 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.17E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.622E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.10  (KowWin est)
  Log Kaw used:  -2.320  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.420
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6843
   Biowin2 (Non-Linear Model)     :   0.7542
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9054  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6560  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3171
   Biowin6 (MITI Non-Linear Model):   0.2155
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7565
 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):  7.29E+003 Pa (54.7 mm Hg)
  Log Koa (Koawin est  ): 3.420
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.11E-010 
       Octanol/air (Koa) model:  6.46E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.49E-008 
       Mackay model           :  3.29E-008 
       Octanol/air (Koa) model:  5.17E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.7880 E-12 cm3/molecule-sec
      Half-Life =     3.836 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    46.037 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.39E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  67.7
      Log Koc:  1.831 

 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 = 0.144 (BCF = 1.395)
       log Kow used: 1.10 (estimated)

 Volatilization from Water:
    Henry LC:  0.000117 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      6.946  hours
    Half-Life from Model Lake :      172.4  hours   (7.185 days)

 Removal In Wastewater Treatment:
    Total removal:               7.41  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.72  percent
    Total to Air:                5.60  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       12.1            92.1         1000       
   Water     42.2            360          1000       
   Soil      45.6            720          1000       
   Sediment  0.0864          3.24e+003    0          
     Persistence Time: 263 hr




                    

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