ChemSpider 2D Image | Propylphosphine | C3H9P

Propylphosphine

  • Molecular FormulaC3H9P
  • Average mass76.077 Da
  • Monoisotopic mass76.044189 Da
  • ChemSpider ID11213957

More details:

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

40200-59-7 [RN]
Phosphine, propyl- [ACD/Index Name]
Propylphosphin [German] [ACD/IUPAC Name]
Propylphosphine [ACD/IUPAC Name]
Propylphosphine [French] [ACD/IUPAC Name]
1730775 [Beilstein]
n-propylphosphine
propylphosphane
PrPH2

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

Density:
Boiling Point: 57.6±9.0 °C at 760 mmHg
Vapour Pressure: 229.7±0.1 mmHg at 25°C
Enthalpy of Vaporization: 28.8±3.0 kJ/mol
Flash Point: -11.4±18.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#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) =  1.26

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  59.73  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -98.50  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  199  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.119e+004
       log Kow used: 1.26 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5434.7 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.64E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.780E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.26  (KowWin est)
  Log Kaw used:  -0.174  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.434
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7113
   Biowin2 (Non-Linear Model)     :   0.8731
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0310  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7380  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5850
   Biowin6 (MITI Non-Linear Model):   0.7699
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8085
 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):  2.61E+004 Pa (196 mm Hg)
  Log Koa (Koawin est  ): 1.434
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.15E-010 
       Octanol/air (Koa) model:  6.67E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.15E-009 
       Mackay model           :  9.18E-009 
       Octanol/air (Koa) model:  5.33E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.4649 E-12 cm3/molecule-sec
      Half-Life =     4.339 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    52.071 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 6.67E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  43.79
      Log Koc:  1.641 

 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 = 0.269 (BCF = 1.858)
       log Kow used: 1.26 (estimated)

 Volatilization from Water:
    Henry LC:  0.0164 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:     0.9212  hours   (55.27 min)
    Half-Life from Model Lake :      83.19  hours   (3.466 days)

 Removal In Wastewater Treatment:
    Total removal:              86.50  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     0.50  percent
    Total to Air:               85.97  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       42.8            104          1000       
   Water     54.4            360          1000       
   Soil      2.65            720          1000       
   Sediment  0.117           3.24e+003    0          
     Persistence Time: 114 hr

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