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CAS Num: 007727-37-9
SMILES : N#N
CHEM : Nitrogen
MOL FOR: N2
MOL WT : 28.01
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
*** WARNING: Inorganic Compound (Outside Estimation Domain)
Log Kow (KOWWIN v1.67 estimate) = 0.67
Log Kow (Exper. database match) = 0.67
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
*** WARNING: Inorganic Compound (Outside Estimate Domain) ***
*** WARNING: Estimations NOT VALID ***
Boiling Pt (deg C): 765.65 (Adapted Stein & Brown method)
Melting Pt (deg C): 336.69 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.66E+010 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.22E+012 (Mean VP of Antoine & Grain methods)
MP (exp database): -210.01 deg C
BP (exp database): -195.79 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
*** WARNING: Inorganic Compound (Outside Estimation Domain)**
Water Solubility at 25 deg C (mg/L): 2.933e+004
log Kow used: 0.67 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1.81e+004 mg/L (21 deg C)
Exper. Ref: VENABLE,CS & FUWA,T (1922)
Water Sol Estimate from Fragments:
*** WARNING: Inorganic Compound (Outside Estimation Domain)***
*** WARNING: Wat Sol Estimation NOT Valid ***
Wat Sol (v1.01 est) = 49726 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Diazoniums
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
*** WARNING: Inorganic Compound (Outside Estimation Domain) **
*** WARNING: Estimation NOT VALID **
Bond Method : 1.94E-002 atm-m3/mole (1.97E+003 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 9.550E-004 atm-m3/mole (9.676E+001 Pa-m3/mole)
VP: 1.66E+010 mm Hg (source: MPBPVP)
WS: 2.93E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
*** WARNING: Inorganic Compound (Outside Estimation Domain)**
*** WARNING: Estimation NOT VALID ***
Log Kow used: 0.67 (exp database)
Log Kaw used: -0.101 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 0.771
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
*** WARNING: Inorganic Compound (Outside Estimation Domain)**
*** WARNING: Estimation NOT VALID ***
Biowin1 (Linear Model) : 0.7342
Biowin2 (Non-Linear Model) : 0.9316
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1373 (weeks )
Biowin4 (Primary Survey Model) : 3.8073 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6195
Biowin6 (MITI Non-Linear Model): 0.8778
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3984
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 4.43E+012 Pa (3.32E+010 mm Hg)
Log Koa (Koawin est ): 0.771
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.78E-019
Octanol/air (Koa) model: 1.45E-012
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.45E-017
Mackay model : 5.42E-017
Octanol/air (Koa) model: 1.16E-010
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
*** WARNING: Inorganic Compound (Outside Estimation Domain)***
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):
3.93E-017 (Junge-Pankow, Mackay avg)
1.16E-010 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
*** WARNING: Inorganic Coumpound (Outside Estimation Domain) **
*** WARNING: Estimation NOT VALID **
Koc : 13.22 L/kg (MCI method)
Log Koc: 1.121 (MCI method)
Koc : 3.811 L/kg (Kow method)
Log Koc: 0.581 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.4030 days (HL = 0.03954 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.077 (BCF = 1.194)
Log BAF Arnot-Gobas method (upper trophic) = 0.077 (BAF = 1.194)
log Kow used: 0.67 (expkow database)
Volatilization from Water:
Henry LC: 0.0194 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 0.556 hours (33.36 min)
Half-Life from Model Lake : 50.44 hours (2.102 days)
Removal In Wastewater Treatment:
Total removal: 88.33 percent
Total biodegradation: 0.03 percent
Total sludge adsorption: 0.44 percent
Total to Air: 87.86 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 55.4 1e+005 1000
Water 42.2 360 1000
Soil 2.21 720 1000
Sediment 0.101 3.24e+003 0
Persistence Time: 147 hr