ChemSpider 2D Image | Triisopropylphosphine | C9H21P

Triisopropylphosphine

  • Molecular FormulaC9H21P
  • Average mass160.237 Da
  • Monoisotopic mass160.138092 Da
  • ChemSpider ID73055

More details:






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

229-333-1 [EINECS]
6476-36-4 [RN]
MFCD00015029 [MDL number]
PHOSPHINE, TRIISOPROPYL-
Phosphine, tris(1-methylethyl)- [ACD/Index Name]
tri(isopropyl)phosphine
Tri-i-propylphosphine
Triisopropylphosphin [German] [ACD/IUPAC Name]
Triisopropylphosphine [ACD/IUPAC Name] [Wiki]
Triisopropylphosphine [French] [ACD/IUPAC Name]
More...

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

906732 [DBID]
377309_ALDRICH [DBID]
92093_FLUKA [DBID]
CCRIS 4693 [DBID]
NSC244304 [DBID]

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

Density:
Boiling Point: 181.0±9.0 °C at 760 mmHg
Vapour Pressure: 1.2±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.0±3.0 kJ/mol
Flash Point: 62.9±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: 3.45
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 87.17
ACD/KOC (pH 5.5): 852.17
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.17
ACD/KOC (pH 7.4): 852.17
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) =  4.10

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  140.57  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -72.46  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.19  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  21.65
       log Kow used: 4.10 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  87.257 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.38E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.028E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.10  (KowWin est)
  Log Kaw used:  -0.520  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.620
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6713
   Biowin2 (Non-Linear Model)     :   0.6755
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8451  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6165  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0859
   Biowin6 (MITI Non-Linear Model):   0.0925
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1389
 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):  759 Pa (5.69 mm Hg)
  Log Koa (Koawin est  ): 4.620
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.95E-009 
       Octanol/air (Koa) model:  1.02E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.43E-007 
       Mackay model           :  3.16E-007 
       Octanol/air (Koa) model:  8.19E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.8237 E-12 cm3/molecule-sec
      Half-Life =     1.567 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    18.810 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.3E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  993.5
      Log Koc:  2.997 

 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 = 2.455 (BCF = 284.9)
       log Kow used: 4.10 (estimated)

 Volatilization from Water:
    Henry LC:  0.00738 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.392  hours
    Half-Life from Model Lake :      121.3  hours   (5.055 days)

 Removal In Wastewater Treatment:
    Total removal:              79.83  percent
    Total biodegradation:        0.16  percent
    Total sludge adsorption:    24.48  percent
    Total to Air:               55.19  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.25            37.6         1000       
   Water     16.9            360          1000       
   Soil      75.1            720          1000       
   Sediment  2.68            3.24e+003    0          
     Persistence Time: 368 hr




                    

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