ChemSpider 2D Image | SY9242500 | C14H15P

SY9242500

  • Molecular FormulaC14H15P
  • Average mass214.243 Da
  • Monoisotopic mass214.091141 Da
  • ChemSpider ID62301

More details:

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

607-01-2 [RN]
Diphenyl ethyl phosphine
DIPHENYLETHYLPHOSPHINE
diphenylphosphinoethane
Ethyl(diphenyl)phosphin [German] [ACD/IUPAC Name]
Ethyl(diphenyl)phosphine [ACD/IUPAC Name]
Éthyl(diphényl)phosphine [French] [ACD/IUPAC Name]
Ethyldiphenylphosphine
MFCD00015170 [MDL number]
NSC 151254
More...

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

744253 [DBID]
03460_FLUKA [DBID]
336904_ALDRICH [DBID]
CCRIS 4693 [DBID]
NSC151254 [DBID]

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

Density:
Boiling Point: 298.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.6±3.0 kJ/mol
Flash Point: 139.6±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: 4.85
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 938.20
ACD/KOC (pH 5.5): 4668.40
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 938.20
ACD/KOC (pH 7.4): 4668.40
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) =  4.30

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  310.43  (Adapted Stein & Brown method)
    Melting Pt (deg C):  54.22  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00152  (Modified Grain method)
    BP  (exp database):  293 deg C
    Subcooled liquid VP: 0.00283 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7.923
       log Kow used: 4.30 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.92 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.17E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.408E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.30  (KowWin est)
  Log Kaw used:  -4.320  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.620
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9017
   Biowin2 (Non-Linear Model)     :   0.9725
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7697  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5484  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2068
   Biowin6 (MITI Non-Linear Model):   0.1182
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2646
 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):  0.377 Pa (0.00283 mm Hg)
  Log Koa (Koawin est  ): 8.620
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.95E-006 
       Octanol/air (Koa) model:  0.000102 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000287 
       Mackay model           :  0.000636 
       Octanol/air (Koa) model:  0.00812 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.0010 E-12 cm3/molecule-sec
      Half-Life =     2.139 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    25.665 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.000461 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3.683E+004
      Log Koc:  4.566 

 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 = 2.607 (BCF = 405)
       log Kow used: 4.30 (estimated)

 Volatilization from Water:
    Henry LC:  1.17E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:        734  hours   (30.58 days)
    Half-Life from Model Lake :       8130  hours   (338.7 days)

 Removal In Wastewater Treatment:
    Total removal:              45.29  percent
    Total biodegradation:        0.44  percent
    Total sludge adsorption:    44.82  percent
    Total to Air:                0.04  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.41            51.3         1000       
   Water     21.7            360          1000       
   Soil      70.6            720          1000       
   Sediment  5.32            3.24e+003    0          
     Persistence Time: 529 hr

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