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CAS Number: 51-79-6

SMILES : O=C(OCC)N

CHEM : Carbamic acid, ethyl ester

MOL FOR: C3 H7 N1 O2

MOL WT : 89.09

------------------------------ 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) = -0.02

Log Kow (Exper. database match) = -0.15

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

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

Boiling Pt (deg C): 117.71 (Adapted Stein & Brown method)

Melting Pt (deg C): -34.47 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.415 (Modified Grain method)

VP (Pa, 25 deg C) : 55.3 (Modified Grain method)

MP (exp database): 49 deg C

BP (exp database): 185 deg C

VP (exp database): 2.62E-01 mm Hg (3.49E+001 Pa) at 25 deg C

Subcooled liquid VP: 0.453 mm Hg (25 deg C, exp database VP )

: 60.3 Pa (25 deg C, exp database VP )

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

Water Solubility at 25 deg C (mg/L): 1.68e+005

log Kow used: -0.15 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 4.8e+005 mg/L (15 deg C)

Exper. Ref: SEIDELL,A (1941)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.6808e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 5.25E-008 atm-m3/mole (5.32E-003 Pa-m3/mole)

Group Method: Incomplete

Exper Database: 6.43E-08 atm-m3/mole (6.52E-003 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: 2.896E-007 atm-m3/mole (2.934E-002 Pa-m3/mole)

VP: 0.415 mm Hg (source: MPBPVP)

WS: 1.68E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: -0.15 (exp database)

Log Kaw used: -5.580 (exp database)

Log Koa (KOAWIN v1.10 estimate): 5.430

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7847

Biowin2 (Non-Linear Model) : 0.9401

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9556 (weeks )

Biowin4 (Primary Survey Model) : 3.9128 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4534

Biowin6 (MITI Non-Linear Model): 0.6945

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7825

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 60.4 Pa (0.453 mm Hg)

Log Koa (Koawin est ): 5.430

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

Mackay model : 4.97E-008

Octanol/air (Koa) model: 6.61E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.79E-006

Mackay model : 3.97E-006

Octanol/air (Koa) model: 5.29E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 7.3505 E-12 cm3/molecule-sec

Half-Life = 1.455 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 17.462 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.88E-006 (Junge-Pankow, Mackay avg)

5.29E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 12.13 L/kg (MCI method)

Log Koc: 1.084 (MCI method)

Koc : 5.749 L/kg (Kow method)

Log Koc: 0.760 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 6.602E-005 L/mol-sec

Kb Half-Life at pH 8: 332.653 years

Kb Half-Life at pH 7: 3326.534 years

(Total Kb applies only to esters, carbmates, alkyl halides)

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) = -2.3189 days (HL = 0.004798 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.043 (BCF = 0.9067)

Log BAF Arnot-Gobas method (upper trophic) = -0.043 (BAF = 0.9067)

log Kow used: -0.15 (expkow database)

Volatilization from Water:

Henry LC: 6.43E-008 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 8595 hours (358.1 days)

Half-Life from Model Lake : 9.385E+004 hours (3910 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.93 34.9 1000

Water 32.2 360 1000

Soil 66.8 720 1000

Sediment 0.0755 3.24e+003 0

Persistence Time: 537 hr

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