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CAS Number: 74-90-8


CHEM : Hydrocyanic acid


MOL WT : 27.03

------------------------------ 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) = -0.69

Log Kow (Exper. database match) = -0.25

Exper. Ref: HANSCH,C ET AL. (1995)

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 48.73 (Adapted Stein & Brown method)

Melting Pt (deg C): -87.99 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 743 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 9.91E+004 (Mean VP of Antoine & Grain methods)

MP (exp database): -13.4 deg C

BP (exp database): 25.6 deg C

VP (exp database): 7.42E+02 mm Hg (9.89E+004 Pa) at 25 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 9.54e+004

log Kow used: -0.25 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C)

Exper. Ref: METCALF,RL (1978)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.0715e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 2.42E-002 atm-m3/mole (2.46E+003 Pa-m3/mole)

Group Method: 2.45E-002 atm-m3/mole (2.48E+003 Pa-m3/mole)

Exper Database: 1.33E-04 atm-m3/mole (1.35E+001 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 2.770E-004 atm-m3/mole (2.807E+001 Pa-m3/mole)

VP: 743 mm Hg (source: MPBPVP)

WS: 9.54E+004 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: -0.25 (exp database)

Log Kaw used: -2.265 (exp database)

Log Koa (KOAWIN v1.10 estimate): 2.015

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7347

Biowin2 (Non-Linear Model) : 0.9324

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1394 (weeks )

Biowin4 (Primary Survey Model) : 3.8087 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6317

Biowin6 (MITI Non-Linear Model): 0.8514

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): 9.89E+004 Pa (742 mm Hg)

Log Koa (Koawin est ): 2.015

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 3.03E-011

Octanol/air (Koa) model: 2.54E-011

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.1E-009

Mackay model : 2.43E-009

Octanol/air (Koa) model: 2.03E-009

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 0.0300 E-12 cm3/molecule-sec

Half-Life = 356.533 Days (12-hr day; 1.5E6 OH/cm3)

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.76E-009 (Junge-Pankow, Mackay avg)

2.03E-009 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.841 L/kg (MCI method)

Log Koc: 0.453 (MCI method)

Koc : 15.1 L/kg (Kow method)

Log Koc: 1.179 (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) = -1.6832 days (HL = 0.02074 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.036 (BCF = 0.9202)

Log BAF Arnot-Gobas method (upper trophic) = -0.036 (BAF = 0.9202)

log Kow used: -0.25 (expkow database)

Volatilization from Water:

Henry LC: 0.000133 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 2.819 hours

Half-Life from Model Lake : 74.35 hours (3.098 days)

Removal In Wastewater Treatment:

Total removal: 8.01 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.66 percent

Total to Air: 6.26 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 21 8.56e+003 1000

Water 40.8 360 1000

Soil 38.1 720 1000

Sediment 0.0796 3.24e+003 0

Persistence Time: 272 hr

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