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Search term: 13689-20-8 (Found by approved synonym)
ChemSpider 2D Image | CYCLOHEXYLDIPHENYLPHOSPHINE OXIDE | C18H21OP

CYCLOHEXYLDIPHENYLPHOSPHINE OXIDE

  • Molecular FormulaC18H21OP
  • Average mass284.332 Da
  • Monoisotopic mass284.132996 Da
  • ChemSpider ID75487

More details:

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

13689-20-8 [RN]
Cyclohexyl(diphenyl)phosphine oxide [ACD/IUPAC Name]
Cyclohexyl(diphenyl)phosphinoxid [German] [ACD/IUPAC Name]
CYCLOHEXYLDIPHENYLPHOSPHINE OXIDE
Oxyde de cyclohexyl(diphényl)phosphine [French] [ACD/IUPAC Name]
Phosphorane, cyclohexyldiphenyl-, oxide [ACD/Index Name]
[13689-20-8] [RN]
[cyclohexyl(phenyl)phosphoroso]benzene
[cyclohexyl(phenyl)phosphoryl]benzene
237-204-6 [EINECS]
More...

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

454397_ALDRICH [DBID]
CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      26-37 Alfa Aesar L00698
      36/37/38 Alfa Aesar L00698
      H315-H319-H335 Alfa Aesar L00698
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar L00698
      Warning Alfa Aesar L00698
      WARNING: Irritates lungs, eyes, skin Alfa Aesar L00698

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

Density: 1.1±0.1 g/cm3
Boiling Point: 397.2±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.2±3.0 kJ/mol
Flash Point: 194.0±19.3 °C
Index of Refraction: 1.569
Molar Refractivity: 83.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 530.67
ACD/KOC (pH 5.5): 3104.78
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 530.67
ACD/KOC (pH 7.4): 3104.78
Polar Surface Area: 27 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 256.2±5.0 cm3

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.15

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  395.74  (Adapted Stein & Brown method)
    Melting Pt (deg C):  85.60  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.77E-006  (Modified Grain method)
    Subcooled liquid VP: 1.06E-005 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):  4.323
       log Kow used: 4.15 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  227.32 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.74E-008  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.397E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.15  (KowWin est)
  Log Kaw used:  -5.816  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.966
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8684
   Biowin2 (Non-Linear Model)     :   0.9289
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6148  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4473  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0595
   Biowin6 (MITI Non-Linear Model):   0.0314
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2425
 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):  0.00141 Pa (1.06E-005 mm Hg)
  Log Koa (Koawin est  ): 9.966
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00212 
       Octanol/air (Koa) model:  0.00227 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0712 
       Mackay model           :  0.145 
       Octanol/air (Koa) model:  0.154 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  13.9000 E-12 cm3/molecule-sec
      Half-Life =     0.769 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.234 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.108 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  921.3
      Log Koc:  2.964 

 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 = 2.496 (BCF = 313)
       log Kow used: 4.15 (estimated)

 Volatilization from Water:
    Henry LC:  3.74E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  2.64E+004  hours   (1100 days)
    Half-Life from Model Lake : 2.881E+005  hours   (1.201E+004 days)

 Removal In Wastewater Treatment:
    Total removal:              37.35  percent
    Total biodegradation:        0.38  percent
    Total sludge adsorption:    36.97  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       0.187           18.5         1000       
   Water     12.5            900          1000       
   Soil      83.1            1.8e+003     1000       
   Sediment  4.19            8.1e+003     0          
     Persistence Time: 1.58e+003 hr

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