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CAS Number: 4117-31-1

SMILES : O=C(OCC)C(N)CO

CHEM : L-SERINE, ETHYL ESTER

MOL FOR: C5 H11 N1 O3

MOL WT : 133.15

------------------------------ 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) = -1.65

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

Boiling Pt (deg C): 225.83 (Adapted Stein & Brown method)

Melting Pt (deg C): 31.28 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0123 (Modified Grain method)

VP (Pa, 25 deg C) : 1.64 (Modified Grain method)

Subcooled liquid VP: 0.014 mm Hg (25 deg C, Mod-Grain method)

: 1.86 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: -1.65 (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:

Aliphatic Amines

Esters

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

Bond Method : 2.32E-011 atm-m3/mole (2.35E-006 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: 2.155E-009 atm-m3/mole (2.183E-004 Pa-m3/mole)

VP: 0.0123 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: -1.65 (KowWin est)

Log Kaw used: -9.023 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.373

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.1709

Biowin2 (Non-Linear Model) : 0.9994

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2296 (weeks )

Biowin4 (Primary Survey Model) : 4.0573 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9028

Biowin6 (MITI Non-Linear Model): 0.9325

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.1245

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): 1.87 Pa (0.014 mm Hg)

Log Koa (Koawin est ): 7.373

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

Mackay model : 1.61E-006

Octanol/air (Koa) model: 5.79E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.8E-005

Mackay model : 0.000129

Octanol/air (Koa) model: 0.000463

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 33.7020 E-12 cm3/molecule-sec

Half-Life = 0.317 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.808 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

9.33E-005 (Junge-Pankow, Mackay avg)

0.000463 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1 L/kg (MCI method)

Log Koc: 0.000 (MCI method)

Koc : 0.3263 L/kg (Kow method)

Log Koc: -0.486 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 4.371E-002 L/mol-sec

Kb Half-Life at pH 8: 183.520 days

Kb Half-Life at pH 7: 5.024 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) = -2.6999 days (HL = 0.001996 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8934)

Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8934)

log Kow used: -1.65 (estimated)

Volatilization from Water:

Henry LC: 2.32E-011 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.912E+007 hours (1.213E+006 days)

Half-Life from Model Lake : 3.177E+008 hours (1.324E+007 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.75 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 0.000539 7.62 1000

Water 37.7 360 1000

Soil 62.2 720 1000

Sediment 0.0706 3.24e+003 0

Persistence Time: 587 hr

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