ChemSpider 2D Image | Phosphorane | H3P

Phosphorane

  • Molecular FormulaH3P
  • Average mass33.998 Da
  • Monoisotopic mass33.997234 Da
  • ChemSpider ID16788137

More details:

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

Phosphoran [German] [ACD/IUPAC Name]
Phosphorane [ACD/Index Name] [ACD/IUPAC Name] [Wiki]
Phosphorane [French] [ACD/IUPAC Name]
13769-19-2 [RN]
PH5
λ(5)-phosphane
λ5-phosphane
  • Miscellaneous

    • Chemical Class:

      A phosphorus hydride consisting of a single pentavalent phosphorus carrying five hydrogens. The parent hydride of the phosphorane class. ChEBI CHEBI:30285

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

Density:
Boiling Point: -87.2±9.0 °C at 760 mmHg
Vapour Pressure: 27274.0±0.1 mmHg at 25°C
Enthalpy of Vaporization: 14.6±0.0 kJ/mol
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 0 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) =  -0.27

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  468.18  (Adapted Stein & Brown method)
    Melting Pt (deg C):  162.02  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.33E+004  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -133 deg C
    BP  (exp database):  -87.7 deg C
    VP  (exp database):  2.93E+04 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.048e+005
       log Kow used: -0.27 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  60349 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.44E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.660E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.27  (KowWin est)
  Log Kaw used:  -0.001  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  -0.269
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7314
   Biowin2 (Non-Linear Model)     :   0.9259
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1240  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7987  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6110
   Biowin6 (MITI Non-Linear Model):   0.8241
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  3.91E+006 Pa (2.93E+004 mm Hg)
  Log Koa (Koawin est  ): -0.269
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.68E-013 
       Octanol/air (Koa) model:  1.32E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.77E-011 
       Mackay model           :  6.14E-011 
       Octanol/air (Koa) model:  1.06E-011 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.46E-011 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  14.3
      Log Koc:  1.155 

 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 = 0.500 (BCF = 3.162)
       log Kow used: -0.27 (estimated)

 Volatilization from Water:
    Henry LC:  0.0244 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      0.609  hours   (36.54 min)
    Half-Life from Model Lake :      55.54  hours   (2.314 days)

 Removal In Wastewater Treatment:
    Total removal:              90.47  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.39  percent
    Total to Air:               90.06  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       56.2            1e+005       1000       
   Water     42.6            360          1000       
   Soil      1.16            720          1000       
   Sediment  0.0783          3.24e+003    0          
     Persistence Time: 145 hr

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