ChemSpider 2D Image | Phosphorus pentasulfide | P4S10

Phosphorus pentasulfide

  • Molecular FormulaP4S10
  • Average mass444.545 Da
  • Monoisotopic mass443.615753 Da
  • ChemSpider ID14133

More details:

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

1,3,5,7-Tétrasulfure de tricyclo[3.3.1.13,7]tétraphosphathiane [French] [ACD/IUPAC Name]
1314-80-3 [RN]
2,4,6,8,9,10-Hexathia-1,3,5,7-tetraphosphatricyclo[3.3.1.13,7]decane, 1,3,5,7-tetrasulfide [ACD/Index Name]
Pentasulfure de phosphore [French]
Phosphorus pentasulfide [Wiki]
Tricyclo[3.3.1.13,7]tetraphosphathian-1,3,5,7-tetrasulfid [German] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]tetraphosphathiane 1,3,5,7-tetrasulfide [ACD/IUPAC Name]
12066-62-5 [RN]
129680-27-9 [RN]
132620-99-6 [RN]
More...

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

232106_ALDRICH [DBID]
544620_ALDRICH [DBID]
HSDB 1251 [DBID]
RCRA waste no. U189 [DBID]
RCRA waste number U189 [DBID]
UN1340 [DBID]
UNII:HJ1X20J1DX [DBID]
UNII-HJ1X20J1DX [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Appearance:

      Greenish-gray to yellow, crystalline solid with an odor of rotten eggs. NIOSH TH4375000

    • First-Aid:

      Eye: Irrigate immediately Skin: Dust off solid; water flush Breathing: Respiratory support Swallow: Medical attention immediately NIOSH TH4375000

    • Exposure Routes:

      inhalation, ingestion, skin and/or eye contact NIOSH TH4375000

    • Symptoms:

      Irritation eyes, skin, respiratory system; apnea, coma, convulsions; conjunctivitis pain, lacrimation (discharge of tears), photophobia (abnormal visual intolerance to light), kerato-conjunctivity, co rneal vesiculation; dizziness; headache; lassitude (weakness, exhaustion); irritability, insomnia; gastrointestinal disturbance NIOSH TH4375000

    • Target Organs:

      Eyes, skin, respiratory system, central nervous system NIOSH TH4375000

    • Incompatibility:

      Water, alcohols, strong oxidizers, acids, alkalis [Note: Reacts with water to form hydrogen sulfide, sulfur dioxide, and phosphoric acid.] NIOSH TH4375000

    • Personal Protection:

      Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When contaminated Remove: When wet or contaminated Change: Daily NIOSH TH4375000

    • Exposure Limits:

      NIOSH REL : TWA 1 mg/m 3 ST 3 mg/m 3 OSHA PEL ?: TWA 1 mg/m 3 NIOSH TH4375000

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

Density: 2.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 2.029
Molar Refractivity: 99.0±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations:
ACD/LogP:
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: 319 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 175.7±5.0 dyne/cm
Molar Volume: 194.2±5.0 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) =  0.67

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  480.00  (Adapted Stein & Brown method)
    Melting Pt (deg C):  90.27  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.06E-008  (Modified Grain method)
    Subcooled liquid VP: 8.76E-008 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):  430.6
       log Kow used: 0.67 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3546.8 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Esters
       Esters (phosphate)
       Nearest analog analysis: pesticides

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.22E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.798E-011 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.67  (KowWin est)
  Log Kaw used:  -3.474  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.144
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.7917
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8318  (weeks       )
   Biowin4 (Primary Survey Model) :   5.0678  (hours       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0086
   Biowin6 (MITI Non-Linear Model):   0.0031
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  2.9441
 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):  1.17E-005 Pa (8.76E-008 mm Hg)
  Log Koa (Koawin est  ): 4.144
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.257 
       Octanol/air (Koa) model:  3.42E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.903 
       Mackay model           :  0.954 
       Octanol/air (Koa) model:  2.74E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 212.0000 E-12 cm3/molecule-sec
      Half-Life =     0.050 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.605 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.928 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  478
      Log Koc:  2.679 

 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: 0.67 (estimated)

 Volatilization from Water:
    Henry LC:  8.22E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      152.3  hours   (6.347 days)
    Half-Life from Model Lake :       1838  hours   (76.6 days)

 Removal In Wastewater Treatment:
    Total removal:               2.32  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  percent
    Total to Air:                0.46  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.189           1.21         1000       
   Water     46              360          1000       
   Soil      53.8            720          1000       
   Sediment  0.0878          3.24e+003    0          
     Persistence Time: 337 hr

Click to predict properties on the Chemicalize site


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