ChemSpider 2D Image | Ph2POCl | C12H10ClOP

Ph2POCl

  • Molecular FormulaC12H10ClOP
  • Average mass236.634 Da
  • Monoisotopic mass236.015778 Da
  • ChemSpider ID66543

More details:

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

1499-21-4 [RN]
216-107-2 [EINECS]
Chlorodiphenylphosphine oxide
Chlorodiphiosphine oxide
Chlorure diphénylphosphinique [French] [ACD/IUPAC Name]
Diphenylchlorophosphine oxide
Diphenylphosphinchlorid [German] [ACD/IUPAC Name]
Diphenylphosphinic acid chloride
Diphenylphosphinic chloride [ACD/IUPAC Name]
diphenylphosphinoyl chloride
More...

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

5GP30GY04V [DBID]
975191 [DBID]
230235_ALDRICH [DBID]
NSC175848 [DBID]
UNII:5GP30GY04V [DBID]
UNII-5GP30GY04V [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 369.2±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.2±3.0 kJ/mol
Flash Point: 177.1±19.3 °C
Index of Refraction: 1.585
Molar Refractivity: 63.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 110.39
ACD/KOC (pH 5.5): 1009.11
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.39
ACD/KOC (pH 7.4): 1009.11
Polar Surface Area: 27 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 188.0±5.0 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) =  2.09

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  338.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  76.00  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.26E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000252 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  456.7
       log Kow used: 2.09 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  14872 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Acid Chloride/Halide

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.36E-008  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.631E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.09  (KowWin est)
  Log Kaw used:  -6.255  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.345
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8911
   Biowin2 (Non-Linear Model)     :   0.9626
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7202  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5161  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0903
   Biowin6 (MITI Non-Linear Model):   0.0429
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3181
 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):  0.0336 Pa (0.000252 mm Hg)
  Log Koa (Koawin est  ): 8.345
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.93E-005 
       Octanol/air (Koa) model:  5.43E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00321 
       Mackay model           :  0.00709 
       Octanol/air (Koa) model:  0.00433 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.8997 E-12 cm3/molecule-sec
      Half-Life =     2.743 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    32.913 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00515 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  37.95
      Log Koc:  1.579 

 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 = 0.912 (BCF = 8.163)
       log Kow used: 2.09 (estimated)

 Volatilization from Water:
    Henry LC:  1.36E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 6.623E+004  hours   (2759 days)
    Half-Life from Model Lake : 7.226E+005  hours   (3.011E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               2.34  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.24  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       0.119           65.8         1000       
   Water     21.9            900          1000       
   Soil      77.8            1.8e+003     1000       
   Sediment  0.0946          8.1e+003     0          
     Persistence Time: 1.4e+003 hr

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