ChemSpider 2D Image | ClPPh2 | C12H10ClP

ClPPh2

  • Molecular FormulaC12H10ClP
  • Average mass220.635 Da
  • Monoisotopic mass220.020859 Da
  • ChemSpider ID59567

More details:

Featured data source
The Merck Index Online

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

1079-66-9 [RN]
214-093-2 [EINECS]
chlorodiphenylphosphane
Chlorodiphenylphosphine
Chlorure de diphénylphosphineux [French] [ACD/IUPAC Name]
ClPPh2
Diphenylphosphinigchlorid [German] [ACD/IUPAC Name]
Diphenylphosphinous chloride [ACD/IUPAC Name]
MFCD00000529 [MDL number]
P-Chlorodiphenylphosphine
More...

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

WO975PJK1Y [DBID]
24485_FLUKA [DBID]
C39601_ALDRICH [DBID]
NSC 60407 [DBID]
NSC60407 [DBID]
TRAM-34 [DBID]
UNII:WO975PJK1Y [DBID]
UNII-WO975PJK1Y [DBID]

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

Density:
Boiling Point: 320.0±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 53.9±3.0 kJ/mol
Flash Point: 147.3±19.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1502.76
ACD/KOC (pH 5.5): 6540.56
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1502.76
ACD/KOC (pH 7.4): 6540.56
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) =  4.02

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  303.29  (Adapted Stein & Brown method)
    Melting Pt (deg C):  55.83  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000849  (Modified Grain method)
    Subcooled liquid VP: 0.00164 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):  12.67
       log Kow used: 4.02 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.3647 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.83E-007  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.945E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.02  (KowWin est)
  Log Kaw used:  -4.623  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.643
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8987
   Biowin2 (Non-Linear Model)     :   0.9699
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7556  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5392  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1379
   Biowin6 (MITI Non-Linear Model):   0.0665
 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):  0.219 Pa (0.00164 mm Hg)
  Log Koa (Koawin est  ): 8.643
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.37E-005 
       Octanol/air (Koa) model:  0.000108 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000495 
       Mackay model           :  0.0011 
       Octanol/air (Koa) model:  0.00856 

 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): 0.000796 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.906E+004
      Log Koc:  4.280 

 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 = 2.393 (BCF = 247.3)
       log Kow used: 4.02 (estimated)

 Volatilization from Water:
    Henry LC:  5.83E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1493  hours   (62.22 days)
    Half-Life from Model Lake : 1.641E+004  hours   (683.9 days)

 Removal In Wastewater Treatment:
    Total removal:              31.00  percent
    Total biodegradation:        0.33  percent
    Total sludge adsorption:    30.65  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.39            65.8         1000       
   Water     21.4            360          1000       
   Soil      73.4            720          1000       
   Sediment  2.84            3.24e+003    0          
     Persistence Time: 547 hr

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