Hydrazine H4N2 structure – Flashcards

Flashcard maker : Richard Molina

Molecular Formula H4N2
Average mass 32.045 Da
Density 0.9±0.1 g/cm3
Boiling Point 113.5±9.0 °C at 760 mmHg
Flash Point
Molar Refractivity 9.1±0.3 cm3
Polarizability 3.6±0.5 10-24cm3
Surface Tension 39.9±3.0 dyne/cm
Molar Volume 35.9±3.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Predicted – Mcule
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      2 °C Jean-Claude Bradley Open Melting Point Dataset 20010
    • Experimental Boiling Point:

      236 F (113.3333 °C)
      NIOSH MU7175000
    • Experimental Ionization Potent:

      8.93 Ev NIOSH MU7175000
    • Experimental Vapor Pressure:

      10 mmHg NIOSH MU7175000
    • Experimental Flash Point:

      99 F (37.2222 °C)
      NIOSH MU7175000
    • Experimental Freezing Point:

      36 F (2.2222 °C)
      NIOSH MU7175000
    • Experimental Solubility:

      Miscible NIOSH MU7175000
  • Miscellaneous
    • Appearance:

      Colorless, fuming, oily liquid with an ammonia-like odor. [Note: A solid below 36F.] NIOSH MU7175000
    • Safety:

      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar 42561
      WARNING: Irritates skin and eyes Alfa Aesar 42561
    • First-Aid:

      Eye: Irrigate immediately Skin: Water flush immediately Breathing: Respiratory support Swallow: Medical attention immediately NIOSH MU7175000
    • Exposure Routes:

      inhalation, skin absorption, ingestion, skin and/or eye contact NIOSH MU7175000
    • Symptoms:

      Irritation eyes, skin, nose, throat; temporary blindness; dizziness, nausea; dermatitis; eye, skin burns; in animals: bronchitis, pulmonary edema; liver, kidney damage; convulsions; [potential occupat
      ional carcinogen] NIOSH MU7175000
    • Target Organs:

      Eyes, skin, respiratory system, central nervous system, liver, kidneys Cancer Site [in animals: tumors of the lungs, liver, blood vessels & intestine] NIOSH MU7175000
    • Incompatibility:

      Oxidizers, hydrogen peroxide, nitric acid, metallic oxides, acids [Note: Can ignite SPONTANEOUSLY on contact with oxidizers or porous materials such as earth, wood & cloth.] NIOSH MU7175000
    • Personal Protection:

      Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When contaminated Remove: When wet (flammable) Change: No recommendation Provide: Eyewash, Quick drench NIOSH MU7175000
    • Exposure Limits:

      NIOSH REL : Ca C 0.03 ppm (0.04 mg/m 3 ) [2-hour] See Appendix A OSHA PEL ?: TWA 1 ppm (1.3 mg/m 3 ) [skin] NIOSH MU7175000

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

Density: 0.9±0.1 g/cm3
Boiling Point: 113.5±9.0 °C at 760 mmHg
Vapour Pressure: 20.7±0.2 mmHg at 25°C
Enthalpy of Vaporization: 41.8±0.0 kJ/mol
Flash Point:
Index of Refraction: 1.422
Molar Refractivity: 9.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.20
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: 52 Å2
Polarizability: 3.6±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 35.9±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) = -1.47
 Log Kow (Exper. database match) = -2.07
 Exper. Ref: Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 499.25 (Adapted Stein & Brown method)
 Melting Pt (deg C): 198.90 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 20.8 (Mean VP of Antoine & Grain methods)
 MP (exp database): 2 deg C
 BP (exp database): 113.5 deg C
 VP (exp database): 1.44E+01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 1e+006
 log Kow used: -2.07 (expkow database)
 no-melting pt equation used
 Water Sol (Exper. database match) = 1e+006 mg/L ( deg C)
 Exper. Ref: AMOORE,JE & HAUTALA,E (1983)

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 1e+006 mg/L
 Wat Sol (Exper. database match) = 1000000.00
 Exper. Ref: AMOORE,JE & HAUTALA,E (1983)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 1.44E-008 atm-m3/mole
 Group Method: Incomplete
 Henrys LC [VP/WSol estimate using EPI values]: 8.772E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: -2.07 (exp database)
 Log Kaw used: -6.230 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 4.160
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.7323
 Biowin2 (Non-Linear Model) : 0.9278
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.1284 (weeks )
 Biowin4 (Primary Survey Model) : 3.8015 (days )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.2438
 Biowin6 (MITI Non-Linear Model): 0.0000
 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): 1.92E+003 Pa (14.4 mm Hg)
 Log Koa (Koawin est ): 4.160
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 1.56E-009 
 Octanol/air (Koa) model: 3.55E-009 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 5.64E-008 
 Mackay model : 1.25E-007 
 Octanol/air (Koa) model: 2.84E-007 

 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): 9.07E-008 (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: -2.07 (expkow database)

 Volatilization from Water:
 Henry LC: 1.44E-008 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 2.302E+004 hours (959.1 days)
 Half-Life from Model Lake : 2.512E+005 hours (1.046E+004 days)

 Removal In Wastewater Treatment:
 Total removal: 1.85 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.75 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 0.332 1e+005 1000 
 Water 39.2 360 1000 
 Soil 60.3 720 1000 
 Sediment 0.0718 3.24e+003 0 
 Persistence Time: 567 hr




 

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