Zinc chloride Cl2Zn structure Flashcard

Cl2Zn structure
Molecular FormulaCl2Zn
Average mass136.315 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:

      290 °C Alfa Aesar
      293 °C Oxford University Chemical Safety Data (No longer updated) More details
      290 °C Alfa Aesar 12307, 13694, 19808, 35726, 35782, 42781, 44198, 87900, A16281
      290-293 °C SynQuest 51902, M030-4-01
      293 °C Oakwood 044566
      290 °C LabNetwork LN01314134
      293 °C (Literature) LabNetwork LN01314134
    • Experimental Boiling Point:

      732 °C Alfa Aesar
      1350 F (732.2222 °C)
      NIOSH ZH1400000
      732 °C Oxford University Chemical Safety Data (No longer updated) More details
      732 °C Alfa Aesar 12307, 13694, 19808, 35726, 35782, 42781, 44198, 87900, A16281
      732 °C SynQuest 51902, M030-4-01
      732 °C LabNetwork LN01314134
    • Experimental Vapor Pressure:

      0 mmHg (Approximate) NIOSH ZH1400000
    • Experimental Flash Point:

      -40 °C Alfa Aesar
      -40 °C Alfa Aesar 19808, 42781
      -40 °C LabNetwork LN01314134
    • Experimental Gravity:

      2.91 g/mL Alfa Aesar 12307, 13694, 19808, 35726, 35782, 42781, 44198, 87900, A16281
      0.835 g/mL Alfa Aesar 13694, 44198, 19808, 42781
      1.07 g/mL Alfa Aesar H54398, H32962
      0.948 g/mL Alfa Aesar H54398, H32962
      2.907 g/mL SynQuest M030-4-01
    • Experimental Solubility:

      Freely soluble in water, dilute HCl, alcohol, glycerol, acetone, ether. Zinc oxychloride forms with much water Alfa Aesar 12307
  • Miscellaneous
    • Appearance:

      White particulate dispersed in air. NIOSH ZH1400000
      white powder, crystals or granules Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

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 Oxford University Chemical Safety Data (No longer updated) More details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

      ORL-RAT LD50 350 mg kg-1, IPR-MUS LD50 31 mg kg-1, IPR-RAT LD50 58 mg kg-1, IVN-RAT LD50 3.7 mg kg-1, IVN-MUS LD50 9 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      1/2-26-36/37/39-45-60-61 Alfa Aesar A16281
      11-19-22-34-37-50/53 Alfa Aesar H54398
      11-19-34-51/53 Alfa Aesar H32962
      12-19-22-34-37-51/53-67 Alfa Aesar 19808, 42781
      12-19-22-34-50/53-66-67 Alfa Aesar 19808, 42781, 13694, 44198
      22-34-50/53 Alfa Aesar 19808, 42781, A16281, 12307, 13694, 35726, 35782, 44198, 87900
      26-36/37/39-45-57 Alfa Aesar H32962
      26-36/37/39-45-60-61 Alfa Aesar 19808, 42781, A16281, 12307, 13694, 35726, 35782, 44198, 87900
      3 Alfa Aesar 19808, 42781, H32962, H54398
      34-50/53 Alfa Aesar 35726, 35782, 41247
      7/8-28-45-60-61 Alfa Aesar 35726, 35782, 41247
      7/8-9-16-28-29-33-45-60-61 Alfa Aesar 19808, 42781, 13694, 44198
      8 Alfa Aesar A16281
      9-16-20-23-26-33-36/37/39-45-57-60 Alfa Aesar 19808, 42781, H54398
      Danger Alfa Aesar 19808, 42781, A16281, H32962, H54398
      DANGER: CORROSIVE, burns skin & eyes Alfa Aesar 35782, 41247
      DANGER: CORROSIVE, burns skin and eyes Alfa Aesar A16281, 12307, 13694, 35726, 44198, 87900
      DANGER: CORROSIVE, irritates skin & eyes Alfa Aesar 12307, 13694, 35726, 35782, 41247, 44198
      DANGER: FLAMMABLE, CORROSIVE, burns skin and eyes Alfa Aesar 19808, 42781
      H224-H314-H302-H411-EUH019 Alfa Aesar H32962
      H225-H314-H302-H335-H336-H411-EUH019 Alfa Aesar 19808, 42781
      H225-H314-H400-H410-H302-H335-H336-EUH019 Alfa Aesar H54398
      H314-H400-H410-H302 Alfa Aesar A16281
      P210-P260-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar 19808, 42781, H32962, H54398
      P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501a Alfa Aesar A16281
      Safety glasses, adequate ventilation. Oxford University Chemical Safety Data (No longer updated) More details
    • First-Aid:

      Breathing: Respiratory support NIOSH ZH1400000
    • Exposure Routes:

      inhalation, skin and/or eye contact NIOSH ZH1400000
    • Symptoms:

      Irritation eyes, skin, nose, throat; conjunctivitis; cough, copious sputum; dyspnea (breathing difficulty), chest pain, pulmonary edema, pneumonitis; pulmonary fibrosis, cor pulmonale; fever; cyanosis
      ; tachypnea; skin burns NIOSH ZH1400000
    • Target Organs:

      Eyes, skin, respiratory system, cardiovascular system NIOSH ZH1400000
    • Incompatibility:

      Potassium NIOSH ZH1400000
    • Personal Protection:

      Skin: No recommendation Eyes: No recommendation Wash skin: No recommendation Remove: No recommendation Change: No recommendation NIOSH ZH1400000
    • Exposure Limits:

      NIOSH REL : TWA 1 mg/m 3 ST 2 mg/m 3 OSHA PEL ?: TWA 1 mg/m 3 NIOSH ZH1400000

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) = 0.15

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 515.63 (Adapted Stein & Brown method)
 Melting Pt (deg C): 203.22 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 4.67E-010 (Modified Grain method)
 Subcooled liquid VP: 3.58E-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): 6.466e+004
 log Kow used: 0.15 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 64462 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : Incomplete
 Group Method: Incomplete
 Henrys LC [VP/WSol estimate using EPI values]: 1.295E-015 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Can Not Estimate (can not calculate HenryLC)

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.6827
 Biowin2 (Non-Linear Model) : 0.7452
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.8980 (weeks )
 Biowin4 (Primary Survey Model) : 3.6511 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.3067
 Biowin6 (MITI Non-Linear Model): 0.1964
 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): 4.77E-006 Pa (3.58E-008 mm Hg)
 Log Koa (): not available
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 0.628 
 Octanol/air (Koa) model: not available
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 0.958 
 Mackay model : 0.98 
 Octanol/air (Koa) model: not available

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

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 23.74
 Log Koc: 1.376 

 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: 0.15 (estimated)

 Volatilization from Water:
 Henry LC: 1.3E-015 atm-m3/mole (calculated from VP/WS)
 Half-Life from Model River: 5.277E+011 hours (2.199E+010 days)
 Half-Life from Model Lake : 5.757E+012 hours (2.399E+011 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 1.04e-006 1e+005 1000 
 Water 38.3 360 1000 
 Soil 61.7 720 1000 
 Sediment 0.0709 3.24e+003 0 
 Persistence Time: 584 hr




 

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