ChemSpider 2D Image | Trimethylphosphine | C3H9P

Trimethylphosphine

  • Molecular FormulaC3H9P
  • Average mass76.077 Da
  • Monoisotopic mass76.044189 Da
  • ChemSpider ID62205

More details:

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

209-823-1 [EINECS]
594-09-2 [RN]
MFCD00008510 [MDL number]
Phosphine, trimethyl- [ACD/Index Name]
trimethylphosphane
Trimethylphosphin [German] [ACD/IUPAC Name]
Trimethylphosphine [ACD/IUPAC Name] [Wiki]
Triméthylphosphine [French] [ACD/IUPAC Name]
TRIMETHYLPHOSPHORUS
trimetilfosfina [Portuguese]
More...

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

969138 [DBID]
323322_ALDRICH [DBID]
324108_ALDRICH [DBID]
324116_ALDRICH [DBID]
CHEBI:35890 [DBID]

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

Density:
Boiling Point: 40.5±9.0 °C at 760 mmHg
Vapour Pressure: 433.8±0.1 mmHg at 25°C
Enthalpy of Vaporization: 27.3±3.0 kJ/mol
Flash Point: -30.0±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.50
ACD/KOC (pH 5.5): 67.11
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 2.50
ACD/KOC (pH 7.4): 67.11
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) =  1.37

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  38.54  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -113.56  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  475  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -85 deg C
    BP  (exp database):  37.5 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  8967
       log Kow used: 1.37 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  14678 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.35E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.303E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.37  (KowWin est)
  Log Kaw used:  -1.258  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.628
      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)    :   0.4870
   Biowin6 (MITI Non-Linear Model):   0.5957
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5974
 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):  6.32E+004 Pa (474 mm Hg)
  Log Koa (Koawin est  ): 2.628
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.75E-011 
       Octanol/air (Koa) model:  1.04E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.71E-009 
       Mackay model           :  3.8E-009 
       Octanol/air (Koa) model:  8.34E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.4080 E-12 cm3/molecule-sec
      Half-Life =    26.216 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.76E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  35.04
      Log Koc:  1.545 

 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 = 0.356 (BCF = 2.268)
       log Kow used: 1.37 (estimated)

 Volatilization from Water:
    Henry LC:  0.00135 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.268  hours
    Half-Life from Model Lake :      86.97  hours   (3.624 days)

 Removal In Wastewater Treatment:
    Total removal:              36.81  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     1.30  percent
    Total to Air:               35.44  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       41.2            629          1000       
   Water     41.6            360          1000       
   Soil      17.1            720          1000       
   Sediment  0.093           3.24e+003    0          
     Persistence Time: 168 hr

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