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CAS Number: 1934-75-4
SMILES : C(#N)N([Na])C(#N)
CHEM : Cyanamide, cyano-, sodium salt
MOL FOR: C2 N3 Na1
MOL WT : 89.03
------------------------------ EPI SUMMARY (v4.10) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = -1.86
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 470.57 (Adapted Stein & Brown method)
Melting Pt (deg C): 198.85 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.22E-009 (Modified Grain method)
VP (Pa, 25 deg C) : 2.96E-007 (Modified Grain method)
Subcooled liquid VP: 1.51E-007 mm Hg (25 deg C, Mod-Grain method)
: 2.01E-005 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -1.86 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Nitriles, Polyaliphatic
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.08E-004 atm-m3/mole (3.12E+001 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: 2.601E-016 atm-m3/mole (2.635E-011 Pa-m3/mole)
VP: 2.22E-009 mm Hg (source: MPBPVP)
WS: 1E+006 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -1.86 (KowWin est)
Log Kaw used: -1.900 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 0.040
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7156
Biowin2 (Non-Linear Model) : 0.8866
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0510 (weeks )
Biowin4 (Primary Survey Model) : 3.7510 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5127
Biowin6 (MITI Non-Linear Model): 0.6434
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8361
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): 2.01E-005 Pa (1.51E-007 mm Hg)
Log Koa (Koawin est ): 0.040
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.149
Octanol/air (Koa) model: 2.69E-013
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.843
Mackay model : 0.923
Octanol/air (Koa) model: 2.15E-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):
0.883 (Junge-Pankow, Mackay avg)
2.15E-011 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 3.334 L/kg (MCI method)
Log Koc: 0.523 (MCI method)
Koc : 4.793 L/kg (Kow method)
Log Koc: 0.681 (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 v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.9255 days (HL = 0.01187 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.044 (BCF = 0.9034)
Log BAF Arnot-Gobas method (upper trophic) = -0.044 (BAF = 0.9034)
log Kow used: -0.52 (estimated)
Volatilization from Water:
Henry LC: 0.000308 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.756 hours
Half-Life from Model Lake : 109.2 hours (4.549 days)
Removal In Wastewater Treatment:
Total removal: 14.13 percent
Total biodegradation: 0.08 percent
Total sludge adsorption: 1.56 percent
Total to Air: 12.48 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 8.87 1e+005 1000
Water 32.9 360 1000
Soil 58.2 720 1000
Sediment 0.0648 3.24e+003 0
Persistence Time: 415 hr