ChemSpider 2D Image | (Chloromethyl)(ethyl)methylphosphine oxide | C4H10ClOP

(Chloromethyl)(ethyl)methylphosphine oxide

  • Molecular FormulaC4H10ClOP
  • Average mass140.548 Da
  • Monoisotopic mass140.015778 Da
  • ChemSpider ID10449888

More details:

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

(Chlormethyl)(ethyl)methylphosphinoxid [German] [ACD/IUPAC Name]
(Chloromethyl)(ethyl)methylphosphine oxide [ACD/IUPAC Name]
Oxyde de (chlorométhyl)(éthyl)méthylphosphine [French] [ACD/IUPAC Name]
Phosphorane, (chloromethyl)ethylmethyl-, oxide [ACD/Index Name]
89212-36-2 [RN]
MFCD19234919

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

Density: 1.1±0.0 g/cm3
Boiling Point: 262.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 48.0±0.0 kJ/mol
Flash Point: 112.2±0.0 °C
Index of Refraction: 1.411
Molar Refractivity: 32.3±0.0 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.34
ACD/KOC (pH 5.5): 63.97
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 2.34
ACD/KOC (pH 7.4): 63.97
Polar Surface Area: 27 Å2
Polarizability: 12.8±0.0 10-24cm3
Surface Tension: 29.0±0.0 dyne/cm
Molar Volume: 130.1±0.0 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) =  0.19

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  185.88  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -39.95  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.725  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.709e+004
       log Kow used: 0.19 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.47E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.349E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.19  (KowWin est)
  Log Kaw used:  -3.221  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.411
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5692
   Biowin2 (Non-Linear Model)     :   0.3016
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7154  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5443  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3947
   Biowin6 (MITI Non-Linear Model):   0.2187
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7143
 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):  88 Pa (0.66 mm Hg)
  Log Koa (Koawin est  ): 3.411
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.41E-008 
       Octanol/air (Koa) model:  6.32E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.23E-006 
       Mackay model           :  2.73E-006 
       Octanol/air (Koa) model:  5.06E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.5922 E-12 cm3/molecule-sec
      Half-Life =     6.718 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    80.613 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.98E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3.848
      Log Koc:  0.585 

 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 = 0.500 (BCF = 3.162)
       log Kow used: 0.19 (estimated)

 Volatilization from Water:
    Henry LC:  1.47E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      48.43  hours   (2.018 days)
    Half-Life from Model Lake :      627.7  hours   (26.15 days)

 Removal In Wastewater Treatment:
    Total removal:               2.65  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                0.81  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.7             161          1000       
   Water     52              900          1000       
   Soil      42.2            1.8e+003     1000       
   Sediment  0.101           8.1e+003     0          
     Persistence Time: 527 hr

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