Yttrium Y structure

Flashcard maker : Lily Taylor

Y structure
Molecular Formula Y
Average mass 88.906 Da
Density
Boiling Point
Flash Point
Molar Refractivity
Polarizability
Surface Tension
Molar Volume
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      1500 °C Oxford University Chemical Safety Data (No longer updated) More details
      1522 °C LabNetwork LN00225152
    • Experimental Boiling Point:

      5301 F (2927.2222 °C)
      NIOSH ZG2980000
      2927 °C Oxford University Chemical Safety Data (No longer updated) More details
      3338 °C LabNetwork LN00225152
    • Experimental Vapor Pressure:

      0 mmHg (Approximate) NIOSH ZG2980000
    • Experimental Solubility:

      Soluble in hot H2O NIOSH ZG2980000
  • Miscellaneous
    • Appearance:

      Dark-gray to black, odorless solid. NIOSH ZG2980000
      solid Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      11 Alfa Aesar 12442, 12443, 44147
      23-26-36/37/39-45 Alfa Aesar 00399, 00401, 00615, 00616, 13855, 13960, 14201, 14422, 88117
      33 Alfa Aesar 44147
      34 Alfa Aesar 00399, 00401, 00615, 00616, 13855, 13960, 14201, 14422, 88117
      CAUTION: Dust may irritate eyes and respiratory tract Alfa Aesar 00399, 00401, 00616, 12442, 13960, 40299, 40300
      DANGER: FLAMMABLE, causes irritation, metal fume fever Alfa Aesar 44147
      DANGER: FLAMMABLE, irritates skin and eyes Alfa Aesar 12443
      Not known to be hazardous in this form Alfa Aesar 00615
      Safety glasses if working with powder or chips. Oxford University Chemical Safety Data (No longer updated) More details
      WARNING: CORROSIVE, burns skin and eyes Alfa Aesar 13855, 14422
      WARNING: CORROSIVE, irritates skin and eyes Alfa Aesar 13855, 14422, 88117
      WARNING: Irritates lungs, eyes, skin Alfa Aesar 14201
    • First-Aid:

      Eye: Irrigate immediately Skin: Soap wash promptly Breathing: Respiratory support Swallow: Medical attention immediately NIOSH ZG2980000
    • Exposure Routes:

      inhalation, ingestion, skin and/or eye contact NIOSH ZG2980000
    • Symptoms:

      Irritation eyes; in animals: pulmonary irritation; eye injury; possible liver damage NIOSH ZG2980000
    • Target Organs:

      Eyes, respiratory system, liver NIOSH ZG2980000
    • Incompatibility:

      Oxidizers NIOSH ZG2980000
    • Personal Protection:

      Skin: No recommendation Eyes: No recommendation Wash skin: No recommendation Remove: No recommendation Change: No recommendation NIOSH ZG2980000
    • Exposure Limits:

      NIOSH REL*: TWA 1 mg/m 3 [*Note: The REL also applies to other yttrium compounds (as Y).] OSHA PEL*: TWA 1 mg/m 3 [*Note: The PEL also applies to other yttrium compounds (as Y).] NIOSH ZG2980000

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

Density:
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/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: 0 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) = 0.23

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 482.98 (Adapted Stein & Brown method)
 Melting Pt (deg C): 188.60 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 4.24E-009 (Modified Grain method)
 Subcooled liquid VP: 2.19E-007 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): 7.982e+004
 log Kow used: 0.23 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 1.5782e+005 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-002 atm-m3/mole
 Group Method: Incomplete
 Henrys LC [VP/WSol estimate using EPI values]: 6.214E-015 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 0.23 (KowWin est)
 Log Kaw used: 0.001 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 0.229
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.7052
 Biowin2 (Non-Linear Model) : 0.8515
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.0027 (weeks )
 Biowin4 (Primary Survey Model) : 3.7195 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.4476
 Biowin6 (MITI Non-Linear Model): 0.4898
 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): 2.92E-005 Pa (2.19E-007 mm Hg)
 Log Koa (Koawin est ): 0.229
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 0.103 
 Octanol/air (Koa) model: 4.16E-013 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 0.788 
 Mackay model : 0.892 
 Octanol/air (Koa) model: 3.33E-011 

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

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 14.3
 Log Koc: 1.155 

 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: 0.23 (estimated)

 Volatilization from Water:
 Henry LC: 0.0245 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 0.9847 hours (59.08 min)
 Half-Life from Model Lake : 89.81 hours (3.742 days)

 Removal In Wastewater Treatment:
 Total removal: 90.51 percent
 Total biodegradation: 0.02 percent
 Total sludge adsorption: 0.40 percent
 Total to Air: 90.09 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 40.2 1e+005 1000 
 Water 54.1 360 1000 
 Soil 5.63 720 1000 
 Sediment 0.101 3.24e+003 0 
 Persistence Time: 177 hr


 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = 0.23

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 482.98 (Adapted Stein & Brown method)
 Melting Pt (deg C): 188.60 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 4.24E-009 (Modified Grain method)
 Subcooled liquid VP: 2.19E-007 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): 7.982e+004
 log Kow used: 0.23 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 1.5782e+005 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-002 atm-m3/mole
 Group Method: Incomplete
 Henrys LC [VP/WSol estimate using EPI values]: 6.214E-015 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 0.23 (KowWin est)
 Log Kaw used: 0.001 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 0.229
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.7052
 Biowin2 (Non-Linear Model) : 0.8515
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.0027 (weeks )
 Biowin4 (Primary Survey Model) : 3.7195 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.4476
 Biowin6 (MITI Non-Linear Model): 0.4898
 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): 2.92E-005 Pa (2.19E-007 mm Hg)
 Log Koa (Koawin est ): 0.229
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 0.103 
 Octanol/air (Koa) model: 4.16E-013 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 0.788 
 Mackay model : 0.892 
 Octanol/air (Koa) model: 3.33E-011 

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

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 14.3
 Log Koc: 1.155 

 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: 0.23 (estimated)

 Volatilization from Water:
 Henry LC: 0.0245 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 0.9847 hours (59.08 min)
 Half-Life from Model Lake : 89.81 hours (3.742 days)

 Removal In Wastewater Treatment:
 Total removal: 90.51 percent
 Total biodegradation: 0.02 percent
 Total sludge adsorption: 0.40 percent
 Total to Air: 90.09 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 40.2 1e+005 1000 
 Water 54.1 360 1000 
 Soil 5.63 720 1000 
 Sediment 0.101 3.24e+003 0 
 Persistence Time: 177 hr




 

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