ChemSpider 2D Image | Cyclohexyl(dimethyl)phosphine | C8H17P

Cyclohexyl(dimethyl)phosphine

  • Molecular FormulaC8H17P
  • Average mass144.194 Da
  • Monoisotopic mass144.106781 Da
  • ChemSpider ID4481265

More details:

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

Cyclohexyl(dimethyl)phosphin [German] [ACD/IUPAC Name]
Cyclohexyl(dimethyl)phosphine [ACD/IUPAC Name]
Cyclohexyl(diméthyl)phosphine [French] [ACD/IUPAC Name]
Phosphine, cyclohexyldimethyl- [ACD/Index Name]

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

Density:
Boiling Point: 184.2±7.0 °C at 760 mmHg
Vapour Pressure: 1.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.3±3.0 kJ/mol
Flash Point: 65.0±24.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.77
ACD/KOC (pH 5.5): 494.66
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.77
ACD/KOC (pH 7.4): 494.66
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) =  3.64

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  168.00  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -43.90  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.72  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  62.55
       log Kow used: 3.64 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  382.77 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.45E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.217E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.64  (KowWin est)
  Log Kaw used:  -0.999  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.639
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6789
   Biowin2 (Non-Linear Model)     :   0.7233
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8805  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6397  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3951
   Biowin6 (MITI Non-Linear Model):   0.3670
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1163
 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):  208 Pa (1.56 mm Hg)
  Log Koa (Koawin est  ): 4.639
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.44E-008 
       Octanol/air (Koa) model:  1.07E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.21E-007 
       Mackay model           :  1.15E-006 
       Octanol/air (Koa) model:  8.55E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.2723 E-12 cm3/molecule-sec
      Half-Life =     1.041 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    12.495 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 8.37E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  817.2
      Log Koc:  2.912 

 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 = 2.103 (BCF = 126.8)
       log Kow used: 3.64 (estimated)

 Volatilization from Water:
    Henry LC:  0.00245 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.512  hours
    Half-Life from Model Lake :      117.2  hours   (4.883 days)

 Removal In Wastewater Treatment:
    Total removal:              55.71  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:    12.91  percent
    Total to Air:               42.67  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.99            25           1000       
   Water     17.9            360          1000       
   Soil      77.1            720          1000       
   Sediment  1.06            3.24e+003    0          
     Persistence Time: 361 hr

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