Phosphoric acid H3O4P structure

Flashcard maker : Joseph Fraser

Molecular FormulaH3O4P
Average mass97.995 Da
Density2.2±0.1 g/cm3
Boiling Point158.0±0.0 °C at 760 mmHg
Flash Point
Molar Refractivity13.5±0.3 cm3
Polarizability5.4±0.5 10-24cm3
Surface Tension136.3±3.0 dyne/cm
Molar Volume45.2±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      19-21 °C Alfa Aesar
      42.35 °C Jean-Claude Bradley Open Melting Point Dataset 22317
      20 °C Jean-Claude Bradley Open Melting Point Dataset 8195
      19-21 °C Alfa Aesar 33266, A18067
      40 °C Oakwood
      40 °C LabNetwork LN00196069
      42.3 °C FooDB FDB013380
    • Experimental Boiling Point:

      415 F (212.7778 °C)
      NIOSH TB6300000
      158 °C (Literature) LabNetwork LN00196069
    • Experimental Vapor Pressure:

      0.03 mmHg NIOSH TB6300000
    • Experimental Flash Point:

    • Experimental Gravity:

      1.7 g/mL Alfa Aesar 33266, A18067
      1.685 g/mL Oakwood
      1.685 g/l Fluorochem 094524
    • Experimental Refraction Index:

      1.431 Alfa Aesar A18067
      20 FooDB FDB013380
    • Experimental Solubility:

      Miscible NIOSH TB6300000
  • Miscellaneous
    • Appearance:

      Thick, colorless, odorless, crystalline solid. [Note: Often used in an aqueous solution.] NIOSH TB6300000
    • Safety:

      1/2-26-45 Alfa Aesar A18067
      20-23-26-36/37/39-45-60 Alfa Aesar A18067
      26-45 Alfa Aesar 33266
      34 Alfa Aesar A18067, 33266
      8 Alfa Aesar A18067
      Danger Alfa Aesar A18067
      DANGER: CORROSIVE, burns skin and eyes Alfa Aesar A18067, 33266
      H314 Alfa Aesar A18067
      P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501a Alfa Aesar A18067
    • First-Aid:

      Eye: Irrigate immediately Skin: Water flush immediately Breathing: Respiratory support Swallow: Medical attention immediately NIOSH TB6300000
    • Exposure Routes:

      inhalation, ingestion, skin and/or eye contact NIOSH TB6300000
    • Symptoms:

      Irritation eyes, skin, upper respiratory system; eye, skin, burns; dermatitis NIOSH TB6300000
    • Target Organs:

      Eyes, skin, respiratory system NIOSH TB6300000
    • Incompatibility:

      Strong caustics, most metals [Note: Readily reacts with metals to form flammable hydrogen gas. DO NOT MIX WITH SOLUTIONS CONTAINING BLEACH OR AMMONIA.] NIOSH TB6300000
    • Personal Protection:

      Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When contaminated Remove: When wet or contaminated Change: Daily Provide: Eyewash (>1.6%), Quick drench (>1.6%) NIOSH TB6300000
    • Exposure Limits:

      NIOSH REL : TWA 1 mg/m 3 ST 3 mg/m 3 OSHA PEL ?: TWA 1 mg/m 3 NIOSH TB6300000

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density: 2.2±0.1 g/cm3
Boiling Point: 158.0±0.0 °C at 760 mmHg
Vapour Pressure: 1.4±0.6 mmHg at 25°C
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.510
Molar Refractivity: 13.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -2.15
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: 88 Å2
Polarizability: 5.4±0.5 10-24cm3
Surface Tension: 136.3±3.0 dyne/cm
Molar Volume: 45.2±3.0 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) = -0.77

 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): 6.09E-011 (Modified Grain method)
 MP (exp database): 42.35 deg C
 Subcooled liquid VP: 8.76E-011 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): 5.386e+005
 log Kow used: -0.77 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 1e+006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 7.60E-015 atm-m3/mole
 Group Method: Incomplete
 Henrys LC [VP/WSol estimate using EPI values]: 1.458E-017 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: -0.77 (KowWin est)
 Log Kaw used: -12.508 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 11.738
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.7009
 Biowin2 (Non-Linear Model) : 0.8344
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.9826 (weeks )
 Biowin4 (Primary Survey Model) : 3.7064 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.4206
 Biowin6 (MITI Non-Linear Model): 0.4247
 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): 1.17E-008 Pa (8.76E-011 mm Hg)
 Log Koa (Koawin est ): 11.738
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 257 
 Octanol/air (Koa) model: 0.134 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 1 
 Mackay model : 1 
 Octanol/air (Koa) model: 0.915 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 0.4200 E-12 cm3/molecule-sec
 Half-Life = 25.467 Days (12-hr day; 1.5E6 OH/cm3)
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 1
 Log Koc: 0.000 

 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: -0.77 (estimated)

 Volatilization from Water:
 Henry LC: 7.6E-015 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 7.626E+010 hours (3.178E+009 days)
 Half-Life from Model Lake : 8.32E+011 hours (3.466E+010 days)

 Removal In Wastewater Treatment:
 Total removal: 1.85 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.76 percent
 Total to Air: 0.00 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.000598 611 1000 
 Water 38.9 360 1000 
 Soil 61 720 1000 
 Sediment 0.0713 3.24e+003 0 
 Persistence Time: 579 hr


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