ChemSpider 2D Image | CyJohnPhos | C24H31P

CyJohnPhos

  • Molecular FormulaC24H31P
  • Average mass350.477 Da
  • Monoisotopic mass350.216339 Da
  • ChemSpider ID2015972

More details:

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

(2-Biphenyl)dicyclohexylphosphine
2-(Dicyclohexylphosphino)biphenyl
247940-06-3 [RN]
2-Biphenylyl(dicyclohexyl)phosphin [German] [ACD/IUPAC Name]
2-Biphenylyl(dicyclohexyl)phosphine [ACD/IUPAC Name]
2-Biphénylyl(dicyclohexyl)phosphine [French] [ACD/IUPAC Name]
8440533 [Beilstein]
Biphenyl-2-yl(dicyclohexyl)phosphine
Cyclohexyl JohnPhos
CyJohnPhos
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD01862441 [DBID]
638099_ALDRICH [DBID]
94859_FLUKA [DBID]
CCRIS 4693 [DBID]

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

Density:
Boiling Point: 499.5±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: 271.7±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: 8.45
ACD/LogD (pH 5.5): 7.27
ACD/BCF (pH 5.5): 196078.05
ACD/KOC (pH 5.5): 213745.23
ACD/LogD (pH 7.4): 7.27
ACD/BCF (pH 7.4): 196078.05
ACD/KOC (pH 7.4): 213745.23
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) =  8.89

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  454.19  (Adapted Stein & Brown method)
    Melting Pt (deg C):  166.19  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.36E-008  (Modified Grain method)
    Subcooled liquid VP: 3.87E-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):  0.0001572
       log Kow used: 8.89 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00061074 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.76E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.990E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.89  (KowWin est)
  Log Kaw used:  -3.446  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.336
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7088
   Biowin2 (Non-Linear Model)     :   0.4578
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4466  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3470  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0344
   Biowin6 (MITI Non-Linear Model):   0.0121
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.9258
 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):  5.16E-005 Pa (3.87E-007 mm Hg)
  Log Koa (Koawin est  ): 12.336
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0581 
       Octanol/air (Koa) model:  0.532 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.677 
       Mackay model           :  0.823 
       Octanol/air (Koa) model:  0.977 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  26.7752 E-12 cm3/molecule-sec
      Half-Life =     0.399 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.794 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.75 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.714E+007
      Log Koc:  7.234 

 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 = 2.220 (BCF = 165.8)
       log Kow used: 8.89 (estimated)

 Volatilization from Water:
    Henry LC:  8.76E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:        127  hours   (5.293 days)
    Half-Life from Model Lake :       1543  hours   (64.28 days)

 Removal In Wastewater Treatment:
    Total removal:              94.03  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.25  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       0.0966          9.59         1000       
   Water     1.82            900          1000       
   Soil      31.1            1.8e+003     1000       
   Sediment  67              8.1e+003     0          
     Persistence Time: 3.31e+003 hr

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