ChemSpider 2D Image | Methylphosphonous difluoride | CH3F2P

Methylphosphonous difluoride

  • Molecular FormulaCH3F2P
  • Average mass84.005 Da
  • Monoisotopic mass83.994041 Da
  • ChemSpider ID120333

More details:

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

Difluorure de méthylphosphoneux [French] [ACD/IUPAC Name]
Methylphosphonigdifluorid [German] [ACD/IUPAC Name]
Methylphosphonous difluoride [ACD/IUPAC Name]
Phosphonous difluoride, P-methyl- [ACD/Index Name]
753-59-3 [RN]
difluoro-methylphosphane
methyldifluorophosphine
Trimethyldifluorophosphorane

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

Density:
Boiling Point: -5.4±23.0 °C at 760 mmHg
Vapour Pressure: 2173.6±0.0 mmHg at 25°C
Enthalpy of Vaporization: 23.5±3.0 kJ/mol
Flash Point: -49.5±22.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.56
ACD/KOC (pH 5.5): 86.39
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.56
ACD/KOC (pH 7.4): 86.39
Polar Surface Area: 14 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) =  1.17

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -10.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -138.49  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.63E+003  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.287e+004
       log Kow used: 1.17 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  34376 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.31E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.528E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.17  (KowWin est)
  Log Kaw used:  -1.420  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.590
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7076
   Biowin2 (Non-Linear Model)     :   0.8601
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0135  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7265  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4974
   Biowin6 (MITI Non-Linear Model):   0.0004
 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):  3.4E+005 Pa (2.55E+003 mm Hg)
  Log Koa (Koawin est  ): 2.590
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.82E-012 
       Octanol/air (Koa) model:  9.55E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.19E-010 
       Mackay model           :  7.06E-010 
       Octanol/air (Koa) model:  7.64E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.1360 E-12 cm3/molecule-sec
      Half-Life =    78.647 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.12E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  35.04
      Log Koc:  1.545 

 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 = 0.201 (BCF = 1.588)
       log Kow used: 1.17 (estimated)

 Volatilization from Water:
    Henry LC:  0.000931 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.512  hours
    Half-Life from Model Lake :      93.35  hours   (3.889 days)

 Removal In Wastewater Treatment:
    Total removal:              29.45  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     1.38  percent
    Total to Air:               27.99  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       40.5            1.89e+003    1000       
   Water     40.8            360          1000       
   Soil      18.6            720          1000       
   Sediment  0.0851          3.24e+003    0          
     Persistence Time: 180 hr

Click to predict properties on the Chemicalize site


Advertisement