ChemSpider 2D Image | Bis(chloromethyl)(methyl)phosphine | C3H7Cl2P

Bis(chloromethyl)(methyl)phosphine

  • Molecular FormulaC3H7Cl2P
  • Average mass144.967 Da
  • Monoisotopic mass143.966248 Da
  • ChemSpider ID10452418

More details:

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

Bis(chlormethyl)(methyl)phosphin [German] [ACD/IUPAC Name]
Bis(chloromethyl)(methyl)phosphine [ACD/IUPAC Name]
Bis(chlorométhyl)(méthyl)phosphine [French] [ACD/IUPAC Name]
Phosphine, bis(chloromethyl)methyl- [ACD/Index Name]
33715-00-3 [RN]
MFCD19232672

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

Density:
Boiling Point: 168.4±0.0 °C at 760 mmHg
Vapour Pressure: 2.1±0.0 mmHg at 25°C
Enthalpy of Vaporization: 38.8±0.0 kJ/mol
Flash Point: 55.7±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.16
ACD/KOC (pH 5.5): 169.92
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.16
ACD/KOC (pH 7.4): 169.92
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) =  1.88

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  166.11  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -46.39  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.88  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1983
       log Kow used: 1.88 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2759.2 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.67E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.808E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.88  (KowWin est)
  Log Kaw used:  -2.166  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.046
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4557
   Biowin2 (Non-Linear Model)     :   0.0598
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5324  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4374  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3823
   Biowin6 (MITI Non-Linear Model):   0.1131
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7792
 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):  228 Pa (1.71 mm Hg)
  Log Koa (Koawin est  ): 4.046
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.32E-008 
       Octanol/air (Koa) model:  2.73E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.75E-007 
       Mackay model           :  1.05E-006 
       Octanol/air (Koa) model:  2.18E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.8458 E-12 cm3/molecule-sec
      Half-Life =    12.645 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 7.64E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  130.8
      Log Koc:  2.117 

 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 = 0.747 (BCF = 5.582)
       log Kow used: 1.88 (estimated)

 Volatilization from Water:
    Henry LC:  0.000167 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       5.45  hours
    Half-Life from Model Lake :      160.4  hours   (6.684 days)

 Removal In Wastewater Treatment:
    Total removal:               9.59  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.93  percent
    Total to Air:                7.57  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       11.5            304          1000       
   Water     32.4            900          1000       
   Soil      55.9            1.8e+003     1000       
   Sediment  0.11            8.1e+003     0          
     Persistence Time: 453 hr

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