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CAS Num: 000327-62-8




MOL WT : 74.08

------------------------------ 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):

Log Kow (KOWWIN v1.67 estimate) = 0.58

Log Kow (Exper. database match) = 0.33

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

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

Boiling Pt (deg C): 145.02 (Adapted Stein & Brown method)

Melting Pt (deg C): -8.99 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.04 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 806 (Mean VP of Antoine & Grain methods)

MP (exp database): -20.7 deg C

BP (exp database): 141.1 deg C

VP (exp database): 3.53E+00 mm Hg (4.71E+002 Pa) at 25 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 1.736e+005

log Kow used: 0.33 (expkow database)

no-melting pt equation used

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

Exper. Ref: US EPA (1981)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.7632e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics-acid

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

Bond Method : 7.27E-007 atm-m3/mole (7.37E-002 Pa-m3/mole)

Group Method: 4.15E-007 atm-m3/mole (4.21E-002 Pa-m3/mole)

Exper Database: 4.45E-07 atm-m3/mole (4.51E-002 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: 3.391E-006 atm-m3/mole (3.436E-001 Pa-m3/mole)

VP: 6.04 mm Hg (source: MPBPVP)

WS: 1.74E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.33 (exp database)

Log Kaw used: -4.740 (exp database)

Log Koa (KOAWIN v1.10 estimate): 5.070

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7850

Biowin2 (Non-Linear Model) : 0.9309

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.4001 (days-weeks )

Biowin4 (Primary Survey Model) : 4.1264 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7227

Biowin6 (MITI Non-Linear Model): 0.8777

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.9693

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): 471 Pa (3.53 mm Hg)

Log Koa (Koawin est ): 5.070

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

Mackay model : 6.37E-009

Octanol/air (Koa) model: 2.88E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.3E-007

Mackay model : 5.1E-007

Octanol/air (Koa) model: 2.31E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 1.3878 E-12 cm3/molecule-sec

Half-Life = 7.707 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 92.487 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.7E-007 (Junge-Pankow, Mackay avg)

2.31E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.44 L/kg (MCI method)

Log Koc: 0.158 (MCI method)

Koc : 2.179 L/kg (Kow method)

Log Koc: 0.338 (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) = -0.9760 days (HL = 0.1057 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.032 (BCF = 1.077)

Log BAF Arnot-Gobas method (upper trophic) = 0.032 (BAF = 1.077)

log Kow used: 0.33 (expkow database)

Volatilization from Water:

Henry LC: 4.45E-007 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1133 hours (47.22 days)

Half-Life from Model Lake : 1.244E+004 hours (518.1 days)

Removal In Wastewater Treatment:

Total removal: 1.88 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 percent

Total to Air: 0.03 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 6.08 210 1000

Water 37.1 208 1000

Soil 56.8 416 1000

Sediment 0.0662 1.87e+003 0

Persistence Time: 298 hr

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