ChemSpider 2D Image | Phosphorus trichloride | Cl3P

Phosphorus trichloride

  • Molecular FormulaCl3P
  • Average mass137.333 Da
  • Monoisotopic mass135.880325 Da
  • ChemSpider ID22798

More details:



Featured data source



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

231-749-3 [EINECS]
7719-12-2 [RN]
Fosforo(tricloruro di) [Italian]
Fosfortrichloride [Dutch]
MFCD00011438
Phosphore(trichlorure de) [French]
Phosphorigtrichlorid [German] [ACD/IUPAC Name]
Phosphorous trichloride [ACD/Index Name] [ACD/IUPAC Name]
Phosphortrichlorid [German] [ACD/IUPAC Name]
phosphorus chloride
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

969177 [DBID]
M97C0A6S8U [DBID]
02.12.7719 [DBID]
157791_SIAL [DBID]
2125683.0 [DBID]
276812_ALDRICH [DBID]
310115_ALDRICH [DBID]
320463_ALDRICH [DBID]
7719122 [DBID]
CHEBI:30334 [DBID]
More...

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

Density:
Boiling Point: 75.5±9.0 °C at 760 mmHg
Vapour Pressure: 115.1±0.1 mmHg at 25°C
Enthalpy of Vaporization: 30.5±0.0 kJ/mol
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
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) =  2.01

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  509.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  202.00  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  103  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -112 deg C
    BP  (exp database):  76 deg C
    VP  (exp database):  1.20E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1651
       log Kow used: 2.01 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  33527 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.88E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.127E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.01  (KowWin est)
  Log Kaw used:  -1.800  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.810
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6822
   Biowin2 (Non-Linear Model)     :   0.7424
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8957  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6496  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3036
   Biowin6 (MITI Non-Linear Model):   0.1917
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 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):  1.6E+004 Pa (120 mm Hg)
  Log Koa (Koawin est  ): 3.810
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.88E-010 
       Octanol/air (Koa) model:  1.58E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.77E-009 
       Mackay model           :  1.5E-008 
       Octanol/air (Koa) model:  1.27E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.09E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  35.04
      Log Koc:  1.545 

 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 = 0.847 (BCF = 7.037)
       log Kow used: 2.01 (estimated)

 Volatilization from Water:
    Henry LC:  0.000388 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.964  hours
    Half-Life from Model Lake :      130.6  hours   (5.442 days)

 Removal In Wastewater Treatment:
    Total removal:              16.85  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:     1.91  percent
    Total to Air:               14.86  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       21.8            1e+005       1000       
   Water     29.2            360          1000       
   Soil      48.9            720          1000       
   Sediment  0.104           3.24e+003    0          
     Persistence Time: 285 hr




                    

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