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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

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