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Search term: 116-17-6 (Found by approved synonym)
ChemSpider 2D Image | TH2800000 | C9H21O3P

TH2800000

  • Molecular FormulaC9H21O3P
  • Average mass208.235 Da
  • Monoisotopic mass208.122833 Da
  • ChemSpider ID8003

More details:

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

116-17-6 [RN]
204-130-0 [EINECS]
MFCD00008874 [MDL number]
Phosphite de triisopropyle [French] [ACD/IUPAC Name]
Phosphorous acid, triisopropyl ester (8CI)
Phosphorous acid, tris(1-methylethyl) ester [ACD/Index Name]
TH2800000
Triisopropyl phosphite [ACD/IUPAC Name]
Triisopropylphosphit [German] [ACD/IUPAC Name]
185105-98-0 [RN]
More...

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

RJ7QU4YQUN [DBID]
BRN 1701528 [DBID]
HSDB 2578 [DBID]
NSC 6516 [DBID]
NSC6516 [DBID]
T67806_ALDRICH [DBID]
UNII:RJ7QU4YQUN [DBID]
UNII-RJ7QU4YQUN [DBID]
ZINC00391980 [DBID]

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

Density:
Boiling Point: 181.4±0.0 °C at 760 mmHg
Vapour Pressure: 1.2±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.1±3.0 kJ/mol
Flash Point: 67.8±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.58
ACD/KOC (pH 5.5): 270.87
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.58
ACD/KOC (pH 7.4): 270.87
Polar Surface Area: 41 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) =  2.00

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  206.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -19.97  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.265  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  781.9
       log Kow used: 2.00 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8.0651 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.87E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.286E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.00  (KowWin est)
  Log Kaw used:  -2.620  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.620
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6484
   Biowin2 (Non-Linear Model)     :   0.5129
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7390  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5473  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0569
   Biowin6 (MITI Non-Linear Model):   0.0249
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1389
 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):  32.5 Pa (0.244 mm Hg)
  Log Koa (Koawin est  ): 4.620
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.22E-008 
       Octanol/air (Koa) model:  1.02E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.33E-006 
       Mackay model           :  7.38E-006 
       Octanol/air (Koa) model:  8.19E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 120.3137 E-12 cm3/molecule-sec
      Half-Life =     0.089 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.067 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.35E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5859
      Log Koc:  3.768 

 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 = 0.838 (BCF = 6.882)
       log Kow used: 2.00 (estimated)

 Volatilization from Water:
    Henry LC:  5.87E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      15.87  hours
    Half-Life from Model Lake :      294.1  hours   (12.25 days)

 Removal In Wastewater Treatment:
    Total removal:               5.21  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.10  percent
    Total to Air:                3.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.256           2.13         1000       
   Water     30.6            900          1000       
   Soil      69              1.8e+003     1000       
   Sediment  0.118           8.1e+003     0          
     Persistence Time: 601 hr

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