ChemSpider 2D Image | MePhos | C25H33P

MePhos

  • Molecular FormulaC25H33P
  • Average mass364.503 Da
  • Monoisotopic mass364.231995 Da
  • ChemSpider ID2016680

More details:

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

2-(Dicyclohexylphosphino)-2'-methylbiphenyl
251320-86-2 [RN]
2-Dicyclohexylphosphino-2'-methylbiphenyl
2-Methyl-2′-dicyclohexylphosphinobiphenyl
2-Methyl-2'-dicyclohexylphosphinobiphenyl
Dicyclohexyl(2'-methyl-2-biphenylyl)phosphin [German] [ACD/IUPAC Name]
Dicyclohexyl(2'-methyl-2-biphenylyl)phosphine [ACD/IUPAC Name]
Dicyclohexyl(2'-méthyl-2-biphénylyl)phosphine [French] [ACD/IUPAC Name]
Dicyclohexyl(2'-methylbiphenyl-2-yl)phosphine
MebiphPCy2
More...

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

MFCD03094577 [DBID]
CCRIS 4693 [DBID]

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

Density:
Boiling Point: 499.3±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 271.5±29.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.91
ACD/LogD (pH 5.5): 7.75
ACD/BCF (pH 5.5): 459829.38
ACD/KOC (pH 5.5): 393422.00
ACD/LogD (pH 7.4): 7.75
ACD/BCF (pH 7.4): 459829.38
ACD/KOC (pH 7.4): 393422.00
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) =  9.44

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  465.79  (Adapted Stein & Brown method)
    Melting Pt (deg C):  173.75  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.72E-009  (Modified Grain method)
    Subcooled liquid VP: 1.99E-007 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):  4.405e-005
       log Kow used: 9.44 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00018947 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.67E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.228E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  9.44  (KowWin est)
  Log Kaw used:  -3.403  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.843
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6287
   Biowin2 (Non-Linear Model)     :   0.1693
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3188  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2533  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0429
   Biowin6 (MITI Non-Linear Model):   0.0097
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.4204
 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):  2.65E-005 Pa (1.99E-007 mm Hg)
  Log Koa (Koawin est  ): 12.843
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.113 
       Octanol/air (Koa) model:  1.71 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.803 
       Mackay model           :  0.9 
       Octanol/air (Koa) model:  0.993 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  27.6763 E-12 cm3/molecule-sec
      Half-Life =     0.386 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.638 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.852 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.834E+007
      Log Koc:  7.452 

 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 = 1.470 (BCF = 29.5)
       log Kow used: 9.44 (estimated)

 Volatilization from Water:
    Henry LC:  9.67E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      117.5  hours   (4.898 days)
    Half-Life from Model Lake :       1442  hours   (60.1 days)

 Removal In Wastewater Treatment:
    Total removal:              94.03  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.26  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0909          9.28         1000       
   Water     1.81            900          1000       
   Soil      31.4            1.8e+003     1000       
   Sediment  66.7            8.1e+003     0          
     Persistence Time: 3.33e+003 hr

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