ChemSpider 2D Image | Chlorodi(1-naphthyl)phosphine | C20H14ClP

Chlorodi(1-naphthyl)phosphine

  • Molecular FormulaC20H14ClP
  • Average mass320.752 Da
  • Monoisotopic mass320.052155 Da
  • ChemSpider ID13721399

More details:

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

36042-99-6 [RN]
Bis(1-naphthyl)chlorophosphine,
Chlorodi(1-naphthyl)phosphine
Chlorure de di-1-naphtylphosphineux [French] [ACD/IUPAC Name]
Di-1-naphthylphosphinigchlorid [German] [ACD/IUPAC Name]
Di-1-naphthylphosphinous chloride [ACD/IUPAC Name]
Phosphinous chloride, P,P-di-1-naphthalenyl- [ACD/Index Name]
97%
BIS(1-NAPHTHYL)CHLOROPHOSPHINE
CHLOROBIS(NAPHTHALEN-1-YL)PHOSPHANE
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      20-26-36/37/39-45 Alfa Aesar H25893
      34 Alfa Aesar H25893
      8 Alfa Aesar H25893
      CORROSIVE Alfa Aesar H25893
      Danger Alfa Aesar H25893
      DANGER: CORROSIVE, burns skin and eyes Alfa Aesar H25893
      H314 Alfa Aesar H25893
      P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501a Alfa Aesar H25893

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

Density:
Boiling Point: 503.3±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 258.2±21.5 °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: 7.79
ACD/LogD (pH 5.5): 6.36
ACD/BCF (pH 5.5): 40367.50
ACD/KOC (pH 5.5): 68957.36
ACD/LogD (pH 7.4): 6.36
ACD/BCF (pH 7.4): 40367.50
ACD/KOC (pH 7.4): 68957.36
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) =  6.37

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  449.73  (Adapted Stein & Brown method)
    Melting Pt (deg C):  175.57  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.37E-008  (Modified Grain method)
    Subcooled liquid VP: 4.99E-007 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):  0.002617
       log Kow used: 6.37 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0033603 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.56E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.209E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.37  (KowWin est)
  Log Kaw used:  -6.643  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.013
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5948
   Biowin2 (Non-Linear Model)     :   0.1756
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4903  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3850  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1271
   Biowin6 (MITI Non-Linear Model):   0.0064
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4999
 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):  6.65E-005 Pa (4.99E-007 mm Hg)
  Log Koa (Koawin est  ): 13.013
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0451 
       Octanol/air (Koa) model:  2.53 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.62 
       Mackay model           :  0.783 
       Octanol/air (Koa) model:  0.995 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  43.2000 E-12 cm3/molecule-sec
      Half-Life =     0.248 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.971 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.701 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.449E+006
      Log Koc:  6.389 

 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 = 4.204 (BCF = 1.601e+004)
       log Kow used: 6.37 (estimated)

 Volatilization from Water:
    Henry LC:  5.56E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.886E+005  hours   (7858 days)
    Half-Life from Model Lake : 2.058E+006  hours   (8.573E+004 days)

 Removal In Wastewater Treatment:
    Total removal:              93.23  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.45  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       0.035           5.94         1000       
   Water     2.58            900          1000       
   Soil      39.5            1.8e+003     1000       
   Sediment  57.9            8.1e+003     0          
     Persistence Time: 3.3e+003 hr

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