ChemSpider 2D Image | Diethyl(isopropyl)phosphine | C7H17P

Diethyl(isopropyl)phosphine

  • Molecular FormulaC7H17P
  • Average mass132.184 Da
  • Monoisotopic mass132.106781 Da
  • ChemSpider ID4909007

More details:

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

Diethyl(isopropyl)phosphin [German] [ACD/IUPAC Name]
Diethyl(isopropyl)phosphine [ACD/IUPAC Name]
Diéthyl(isopropyl)phosphine [French] [ACD/IUPAC Name]
Phosphine, diethyl(1-methylethyl)- [ACD/Index Name]

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

Density:
Boiling Point: 145.5±9.0 °C at 760 mmHg
Vapour Pressure: 6.1±0.3 mmHg at 25°C
Enthalpy of Vaporization: 36.7±3.0 kJ/mol
Flash Point: 39.6±25.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 33.86
ACD/KOC (pH 5.5): 433.04
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 33.86
ACD/KOC (pH 7.4): 433.04
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) =  3.26

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  122.45  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -74.02  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  14  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  147.7
       log Kow used: 3.26 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  303.92 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.19E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.649E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.26  (KowWin est)
  Log Kaw used:  -0.766  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.026
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6846
   Biowin2 (Non-Linear Model)     :   0.7561
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9071  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6570  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3687
   Biowin6 (MITI Non-Linear Model):   0.3885
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4039
 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):  1.75E+003 Pa (13.1 mm Hg)
  Log Koa (Koawin est  ): 4.026
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.72E-009 
       Octanol/air (Koa) model:  2.61E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.2E-008 
       Mackay model           :  1.37E-007 
       Octanol/air (Koa) model:  2.08E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.4771 E-12 cm3/molecule-sec
      Half-Life =     2.389 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    28.668 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 9.97E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  398.9
      Log Koc:  2.601 

 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 = 1.812 (BCF = 64.8)
       log Kow used: 3.26 (estimated)

 Volatilization from Water:
    Henry LC:  0.00419 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.334  hours
    Half-Life from Model Lake :        111  hours   (4.623 days)

 Removal In Wastewater Treatment:
    Total removal:              64.34  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     5.88  percent
    Total to Air:               58.38  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       10.9            57.3         1000       
   Water     23.7            360          1000       
   Soil      64.8            720          1000       
   Sediment  0.65            3.24e+003    0          
     Persistence Time: 269 hr

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