Dinitrogen Tetroxide

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CSID:23681, http://www.lize.vn/Chemical-Structure.23681.html (accessed 08:12, Aug 10, 2021) CopyCopied

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Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.434
Molar Refractivity: 14.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0

ACD/LogP: 0.17
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: 92 Å2
Polarizability: 5.6±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 54.1±3.0 cm3

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Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -2.16 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 708.28 (Adapted Stein & Brown method) Melting Pt (deg C): 309.89 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.23E-020 (Modified Grain method) Subcooled liquid VP: 5.07E-017 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): 1e+006 log Kow used: -2.16 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.6557e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) : Bond Method : 2.05E-015 atm-m3/mole Group Method: Incomplete Henrys LC : 3.953E-027 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) : Log Kow used: -2.16 (KowWin est) Log Kaw used: -13.077 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.917 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7033 Biowin2 (Non-Linear Model) : 0.8439 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9936 (weeks ) Biowin4 (Primary Survey Model) : 3.7135 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4261 Biowin6 (MITI Non-Linear Model): 0.5238 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3984 Ready Biodegradability Prediction: NOHydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C): Vapor pressure (liquid/subcooled): 6.76E-015 Pa (5.07E-017 mm Hg) Log Koa (Koawin est ): 10.917 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.44E+008 Octanol/air (Koa) model: 0.0203 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 0.619 Atmospheric Oxidation (25 deg C) : 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): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 24.95 Log Koc: 1.397 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : 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: -2.16 (estimated) Volatilization from Water: Henry LC: 2.05E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.755E+011 hours (1.148E+010 days) Half-Life from Model Lake : 3.005E+012 hours (1.252E+011 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 1.57 1e+005 1000 Water 39.8 360 1000 Soil 58.6 720 1000 Sediment 0.0727 3.24e+003 0 Persistence Time: 531 hr

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