Phosphorus pentasulfide P4S10 structure – Flashcards

Flashcard maker : Briley Leonard

P4S10 structure
Molecular Formula P4S10
Average mass 444.545 Da
Density 2.3±0.1 g/cm3
Boiling Point
Flash Point
Molar Refractivity 99.0±0.4 cm3
Polarizability 39.2±0.5 10-24cm3
Surface Tension 175.7±5.0 dyne/cm
Molar Volume 194.2±5.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties
    • Experimental Boiling Point:

      957 F (513.8889 °C)
      NIOSH TH4375000
    • Experimental Solubility:

      Reacts NIOSH TH4375000
  • 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

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/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 (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

Get an explanation on any task
Get unstuck with the help of our AI assistant in seconds