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ChemSpider 2D Image | Chlorodiisopropylphosphine | C6H14ClP

Chlorodiisopropylphosphine

  • Molecular FormulaC6H14ClP
  • Average mass152.602 Da
  • Monoisotopic mass152.052170 Da
  • ChemSpider ID469344

More details:

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

40244-90-4 [RN]
chlorobis(propan-2-yl)phosphane
Chlorodiisopropylphosphine [Wiki]
Chlorure de diisopropylphosphineux [French] [ACD/IUPAC Name]
Diisopropylphosphinigchlorid [German] [ACD/IUPAC Name]
Diisopropylphosphinous chloride [ACD/IUPAC Name]
MFCD00015027 [MDL number]
Phosphinous chloride, bis(1-methylethyl)-
Phosphinous chloride, P,P-bis(1-methylethyl)- [ACD/Index Name]
774170-15-9 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

337773_ALDRICH [DBID]

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

    Density:
    Boiling Point: 160.0±0.0 °C at 760 mmHg
    Vapour Pressure: 3.2±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 38.0±3.0 kJ/mol
    Flash Point: 3.9±0.0 °C
    Index of Refraction:
    Molar Refractivity:
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.58
    ACD/LogD (pH 5.5): 2.76
    ACD/BCF (pH 5.5): 73.88
    ACD/KOC (pH 5.5): 757.01
    ACD/LogD (pH 7.4): 2.76
    ACD/BCF (pH 7.4): 73.88
    ACD/KOC (pH 7.4): 757.01
    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) =  3.40

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  120.06  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -72.90  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  15.6  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  92.04
       log Kow used: 3.40 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  636.01 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.76E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.403E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.40  (KowWin est)
  Log Kaw used:  -0.948  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.348
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6749
   Biowin2 (Non-Linear Model)     :   0.6988
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8619  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6276  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1584
   Biowin6 (MITI Non-Linear Model):   0.1190
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1861
 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):  1.95E+003 Pa (14.6 mm Hg)
  Log Koa (Koawin est  ): 4.348
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.54E-009 
       Octanol/air (Koa) model:  5.47E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.57E-008 
       Mackay model           :  1.23E-007 
       Octanol/air (Koa) model:  4.38E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.5491 E-12 cm3/molecule-sec
      Half-Life =     2.351 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    28.215 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 8.95E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  325.8
      Log Koc:  2.513 

 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 = 1.919 (BCF = 82.97)
       log Kow used: 3.40 (estimated)

 Volatilization from Water:
    Henry LC:  0.00276 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.523  hours
    Half-Life from Model Lake :      120.2  hours   (5.008 days)

 Removal In Wastewater Treatment:
    Total removal:              56.07  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     8.15  percent
    Total to Air:               47.83  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       8.02            56.4         1000       
   Water     19.7            360          1000       
   Soil      71.6            720          1000       
   Sediment  0.713           3.24e+003    0          
     Persistence Time: 327 hr

    Click to predict properties on the Chemicalize site


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