ChemSpider 2D Image | WRU258L1EW | C6H5Cl2P

WRU258L1EW

  • Molecular FormulaC6H5Cl2P
  • Average mass178.984 Da
  • Monoisotopic mass177.950592 Da
  • ChemSpider ID12053

More details:






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

211-425-8 [EINECS]
4-16-00-00972 [Beilstein]
644-97-3 [RN]
Dichlorophenylphosphine
Dichlorure de phénylphosphoneux [French] [ACD/IUPAC Name]
MFCD00000528 [MDL number]
Phenylphosphonigdichlorid [German] [ACD/IUPAC Name]
Phenylphosphonous dichloride [ACD/IUPAC Name]
Phenylphosphonousdichlorid
Phosphonous dichloride, P-phenyl- [ACD/Index Name]
More...

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

36240_FLUKA [DBID]
AI3-15063 [DBID]
AI3-15390 [DBID]
BRN 0508189 [DBID]
D71984_ALDRICH [DBID]
ghl.PDMitscherleg0.931 [DBID]
HSDB 2729 [DBID]
NCGC00091693-01 [DBID]
NSC 3538 [DBID]
NSC 66478 [DBID]
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 224.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.2±3.0 kJ/mol
Flash Point: 89.3±18.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 296.16
ACD/KOC (pH 5.5): 2045.15
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 296.16
ACD/KOC (pH 7.4): 2045.15
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) =  3.01

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  205.03  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -4.92  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.101  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -51 deg C
    BP  (exp database):  225 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  148.7
       log Kow used: 3.01 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  510.93 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.50E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.600E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.01  (KowWin est)
  Log Kaw used:  -3.212  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.222
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7904
   Biowin2 (Non-Linear Model)     :   0.9060
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8256  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5944  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2207
   Biowin6 (MITI Non-Linear Model):   0.1150
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5771
 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):  12.7 Pa (0.0949 mm Hg)
  Log Koa (Koawin est  ): 6.222
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.37E-007 
       Octanol/air (Koa) model:  4.09E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.56E-006 
       Mackay model           :  1.9E-005 
       Octanol/air (Koa) model:  3.27E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.9498 E-12 cm3/molecule-sec
      Half-Life =     5.486 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    65.827 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.38E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  817.2
      Log Koc:  2.912 

 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 = 1.620 (BCF = 41.72)
       log Kow used: 3.01 (estimated)

 Volatilization from Water:
    Henry LC:  1.5E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      53.59  hours   (2.233 days)
    Half-Life from Model Lake :      696.7  hours   (29.03 days)

 Removal In Wastewater Treatment:
    Total removal:               6.54  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     5.62  percent
    Total to Air:                0.79  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.65            132          1000       
   Water     24              360          1000       
   Soil      70.9            720          1000       
   Sediment  0.409           3.24e+003    0          
     Persistence Time: 477 hr




                    

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