ChemSpider 2D Image | Phosphorus pentachloride | Cl5P

Phosphorus pentachloride

  • Molecular FormulaCl5P
  • Average mass208.239 Da
  • Monoisotopic mass205.818024 Da
  • ChemSpider ID23204

More details:

Featured data source

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

10026-13-8 [RN]
233-060-3 [EINECS]
Fosforpentachloride [Dutch]
PCl5 [Formula]
Pentachlorophosphorane [ACD/IUPAC Name]
Pentachlorophosphorane [French] [ACD/IUPAC Name]
Pentachlorphosphoran [German] [ACD/IUPAC Name]
Phosphorane, pentachloro- [ACD/Index Name]
Phosphore(pentachlorure de) [French]

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

157775_SIAL [DBID]
79590_FLUKA [DBID]
CHEBI:30335 [DBID]
HSDB 1205 [DBID]
NCGC00090975-01 [DBID]
UN1806 [DBID]
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      162 °C (Sublimes) Alfa Aesar
      162 °C (Sublimes) Alfa Aesar 10523, 11849
      148 °C Jean-Claude Bradley Open Melting Point Dataset 17669
      179-181 °C Oakwood
      160 °C Wikidata Q283427
      179-181 °C (Sublimes) Sigma-Aldrich SIAL-157775
      166.8 °C (Sublimes) Strem 93-1545
      162 °C (Sublimes) Kaye & Laby (No longer updated)
      179-181 °C Oakwood 094139
    • Experimental Boiling Point:

      160 °C Oakwood
      160 °C Oakwood 094139
    • Experimental Solubility:

      decomposes in 100?C water Kaye & Laby (No longer updated)
      decomposes in 20?C water Kaye & Laby (No longer updated)
      decomposes in acid Kaye & Laby (No longer updated)
      Reacts NIOSH TB6125000
      Soluble in carbon disulfide and carbon tetrachloride Alfa Aesar 10523
      soluble in CCl4 Kaye & Laby (No longer updated)
      soluble in CS2 Kaye & Laby (No longer updated)
    • Experimental Density:

      1.42 g/mL / 4 °C Merck Millipore 845138
      2.114 g/mL Alfa Aesar 10523, 11849
      1.417 g/mL / 20 °C Merck Millipore 4523, 845138
      1.6 g/mL Oakwood 094139
      3.6 g/l Wikidata Q283427
      1.6 g/mL / 20 °C Kaye & Laby (No longer updated)
  • Miscellaneous
    • Appearance:

      White to pale-yellow, crystalline solid with a pungent, unpleasant odor. NIOSH TB6125000
    • Safety:

      14-22-26-29-34-48/20 Alfa Aesar 10523, 11849
      7/8-26-36/37/39-45 Alfa Aesar 10523, 11849
      DANGER: CORROSIVE, burns skin and eyes Alfa Aesar 10523, 11849
    • First-Aid:

      Eye: Irrigate immediately Skin: Water flush immediately Breathing: Respiratory support Swallow: Medical attention immediately NIOSH TB6125000
    • Exposure Routes:

      inhalation, ingestion, skin and/or eye contact NIOSH TB6125000
    • Symptoms:

      Irritation eyes, skin, respiratory system; bronchitis; dermatitis NIOSH TB6125000
    • Target Organs:

      Eyes, skin, respiratory system NIOSH TB6125000
    • Incompatibility:

      Water, magnesium oxide, chemically-active metals such as sodium & potassium, alkalis, amines [Note: Hydrolyzes in water (even in humid air) to form hydrochloric acid & phosphoric acid. Corrosive to me tals.] NIOSH TB6125000
    • Personal Protection:

      Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When contaminated Remove: When wet or contaminated Change: Daily Provide: Eyewash, Quick drench NIOSH TB6125000
    • Exposure Limits:

      NIOSH REL : TWA 1 mg/m 3 OSHA PEL : TWA 1 mg/m 3 NIOSH TB6125000

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

Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations:
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: 0 Å2
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) =  -3.47

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  542.46  (Adapted Stein & Brown method)
    Melting Pt (deg C):  217.75  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2E-011  (Modified Grain method)
    Subcooled liquid VP: 2.28E-009 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):  1e+006
       log Kow used: -3.47 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  13545 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-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.480E-018 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -3.47  (KowWin est)
  Log Kaw used:  -2.999  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  -0.471
      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)    :   0.0926
   Biowin6 (MITI Non-Linear Model):   0.0297
 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):  3.04E-007 Pa (2.28E-009 mm Hg)
  Log Koa (Koawin est  ): -0.471
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.87 
       Octanol/air (Koa) model:  8.3E-014 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.997 
       Mackay model           :  0.999 
       Octanol/air (Koa) model:  6.64E-012 

 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): 0.998 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  64.94
      Log Koc:  1.813 

 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 = 0.500 (BCF = 3.162)
       log Kow used: -3.47 (estimated)

 Volatilization from Water:
    Henry LC:  2.45E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      35.96  hours   (1.498 days)
    Half-Life from Model Lake :      513.3  hours   (21.39 days)

 Removal In Wastewater Treatment:
    Total removal:               3.16  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.73  percent
    Total to Air:                1.33  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.91            1e+005       1000       
   Water     44.9            900          1000       
   Soil      53.1            1.8e+003     1000       
   Sediment  0.0861          8.1e+003     0          
     Persistence Time: 840 hr


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