ChemSpider 2D Image | Tripentylphosphine oxide | C15H33OP

Tripentylphosphine oxide

  • Molecular FormulaC15H33OP
  • Average mass260.396 Da
  • Monoisotopic mass260.226898 Da
  • ChemSpider ID89792

More details:






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

3084-47-7 [RN]
Oxyde de tripentylphosphine [French] [ACD/IUPAC Name]
Phosphorane, tripentyl-, oxide [ACD/Index Name]
Tripentylphosphine oxide [ACD/IUPAC Name]
Tripentylphosphinoxid [German] [ACD/IUPAC Name]
1-(DIPENTYLPHOSPHORYL)PENTANE
32214-80-5 [RN]
Phosphine oxide, tripentyl-
TRI-N-AMYL PHOSPHINE OXIDE
TRI-N-AMYLPHOSPHINEOXIDE
More...

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

BRN 1774351 [DBID]
NSC 222422 [DBID]
NSC222422 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 386.3±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.0±3.0 kJ/mol
Flash Point: 187.4±19.3 °C
Index of Refraction: 1.435
Molar Refractivity: 78.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7719.88
ACD/KOC (pH 5.5): 21102.91
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7719.88
ACD/KOC (pH 7.4): 21102.91
Polar Surface Area: 27 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 29.7±3.0 dyne/cm
Molar Volume: 300.3±3.0 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) =  5.34

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  325.52  (Adapted Stein & Brown method)
    Melting Pt (deg C):  28.80  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000461  (Modified Grain method)
    Subcooled liquid VP: 0.000498 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):  0.5693
       log Kow used: 5.34 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  34.013 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.40E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.775E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.34  (KowWin est)
  Log Kaw used:  -1.415  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.755
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9489
   Biowin2 (Non-Linear Model)     :   0.9922
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.5187  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.2792  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5317
   Biowin6 (MITI Non-Linear Model):   0.5549
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0439
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0664 Pa (0.000498 mm Hg)
  Log Koa (Koawin est  ): 6.755
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.52E-005 
       Octanol/air (Koa) model:  1.4E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00163 
       Mackay model           :  0.0036 
       Octanol/air (Koa) model:  0.000112 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.8731 E-12 cm3/molecule-sec
      Half-Life =     0.674 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.086 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00262 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1888
      Log Koc:  3.276 

 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 = 2.412 (BCF = 258.2)
       log Kow used: 5.34 (estimated)

 Volatilization from Water:
    Henry LC:  0.00094 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.652  hours
    Half-Life from Model Lake :      164.2  hours   (6.843 days)

 Removal In Wastewater Treatment:
    Total removal:              86.84  percent
    Total biodegradation:        0.69  percent
    Total sludge adsorption:    83.02  percent
    Total to Air:                3.13  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.4             16.2         1000       
   Water     15.2            208          1000       
   Soil      60.5            416          1000       
   Sediment  21.9            1.87e+003    0          
     Persistence Time: 331 hr




                    

Click to predict properties on the Chemicalize site






Advertisement