ChemSpider 2D Image | (Z)-Mevinphos | C7H13O6P

(Z)-Mevinphos

  • Molecular FormulaC7H13O6P
  • Average mass224.148 Da
  • Monoisotopic mass224.044968 Da
  • ChemSpider ID4938358
  • Double-bond stereo - Double-bond stereo


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

(Z)-Mevinphos
(2Z)-3-[(Diméthoxyphosphoryl)oxy]-2-buténoate de méthyle [French] [ACD/IUPAC Name]
(Z)-3-(Dimethoxyphosphinyloxy)-2-butenoic acid methyl ester
200-835-2 [EINECS]
206-417-6 [EINECS]
298-01-1 [RN]
2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, methyl ester
2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, methyl ester [ACD/Index Name]
2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, methyl ester, (2Z)- [ACD/Index Name]
3-((Dimethoxyphosphinyl)oxy)-2-butenoic acid methyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

46064_RIEDEL [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 243.4±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.0±3.0 kJ/mol
    Flash Point: 115.1±45.4 °C
    Index of Refraction: 1.437
    Molar Refractivity: 48.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.28
    ACD/LogD (pH 5.5): 0.43
    ACD/BCF (pH 5.5): 1.25
    ACD/KOC (pH 5.5): 40.82
    ACD/LogD (pH 7.4): 0.43
    ACD/BCF (pH 7.4): 1.25
    ACD/KOC (pH 7.4): 40.82
    Polar Surface Area: 81 Å2
    Polarizability: 19.1±0.5 10-24cm3
    Surface Tension: 35.6±3.0 dyne/cm
    Molar Volume: 184.2±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) =  -0.24
        Log Kow (Exper. database match) =  0.13
           Exper. Ref:  Tomlin,C (1994)
    
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  288.73  (Adapted Stein & Brown method)
        Melting Pt (deg C):  28.06  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  0.00354  (Modified Grain method)
        MP  (exp database):  13.95 deg C
        BP  (exp database):  99-103 @ 0.3 mm Hg deg C
        VP  (exp database):  1.28E-04 mm Hg at 20 deg C
    
     Water Solubility Estimate from Log Kow (WSKOW v1.41):
        Water Solubility at 25 deg C (mg/L):  2.533e+004
           log Kow used: 0.13 (expkow database)
           no-melting pt equation used
         Water Sol (Exper. database match) =  1e+006 mg/L ( deg C)
            Exper. Ref:  SHAROM,MS ET AL. (1980A)
         Water Sol (Exper. database match) =  6e+005 mg/L ( deg C)
            Exper. Ref:  BENYON,KI ET AL. (1973)
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  1e+006 mg/L
        Wat Sol (Exper. database match) =  1000000.00
           Exper. Ref:  SHAROM,MS ET AL. (1980A)
        Wat Sol (Exper. database match) =  600000.00
           Exper. Ref:  BENYON,KI ET AL. (1973)
    
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Acrylates
           Esters
           Esters (phosphate)
    
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   3.89E-009  atm-m3/mole
       Group Method:   Incomplete
       Exper Database: 6.39E-11  atm-m3/mole
     Henrys LC [VP/WSol estimate using EPI values]:  4.122E-008 atm-m3/mole
    
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  0.13  (exp database)
      Log Kaw used:  -8.583  (exp database)
          Log Koa (KOAWIN v1.10 estimate):  8.713
          Log Koa (experimental database):  None
    
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   1.1290
       Biowin2 (Non-Linear Model)     :   1.0000
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   2.9978  (weeks       )
       Biowin4 (Primary Survey Model) :   4.2187  (days        )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :   0.5516
       Biowin6 (MITI Non-Linear Model):   0.4348
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model):  1.1431
     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):  0.0171 Pa (0.000128 mm Hg)
      Log Koa (Koawin est  ): 8.713
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  0.000176 
           Octanol/air (Koa) model:  0.000127 
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  0.00631 
           Mackay model           :  0.0139 
           Octanol/air (Koa) model:  0.01 
    
     Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
       Hydroxyl Radicals Reaction:
          OVERALL OH Rate Constant =  36.3446 E-12 cm3/molecule-sec
          Half-Life =     0.294 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =     3.532 Hrs
       Ozone Reaction:
          OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
          Half-Life =     1.007 Days (at 7E11 mol/cm3)
          Half-Life =     24.179 Hrs
       Fraction sorbed to airborne particulates (phi): 0.0101 (Junge,Mackay)
        Note: the sorbed fraction may be resistant to atmospheric oxidation
    
     Soil Adsorption Coefficient (PCKOCWIN v1.66):
          Koc    :  232
          Log Koc:  2.366 
    
     Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
      Total Kb for pH > 8 at 25 deg C :  6.604E-003  L/mol-sec
      Kb Half-Life at pH 8:       3.326  years  
      Kb Half-Life at pH 7:      33.258  years  
    
     Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
       Log BCF from regression-based method = 0.500 (BCF = 3.162)
           log Kow used: 0.13 (expkow database)
    
     Volatilization from Water:
        Henry LC:  6.39E-011 atm-m3/mole  (Henry experimental database)
        Half-Life from Model River: 1.372E+007  hours   (5.716E+005 days)
        Half-Life from Model Lake : 1.496E+008  hours   (6.235E+006 days)
    
     Removal In Wastewater Treatment:
        Total removal:               1.85  percent
        Total biodegradation:        0.09  percent
        Total sludge adsorption:     1.76  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       0.00149         5.47         1000       
       Water     38.3            360          1000       
       Soil      61.6            720          1000       
       Sediment  0.071           3.24e+003    0          
         Persistence Time: 583 hr
    
    
    
    
                        

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