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CAS Num: 000625-55-8


CHEM : Formic acid, 1-methylethyl ester


MOL WT : 88.11

------------------------------ 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) = 0.73

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

Boiling Pt (deg C): 65.12 (Adapted Stein & Brown method)

Melting Pt (deg C): -85.13 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 142 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.89E+004 (Mean VP of Antoine & Grain methods)

MP (exp database): -80 deg C

BP (exp database): 68.2 deg C

VP (exp database): 1.38E+02 mm Hg (1.84E+004 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 2.967e+004

log Kow used: 0.73 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 2.07e+004 mg/L (25 deg C)

Exper. Ref: WAKITA,K ET AL. (1986)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 39711 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 4.23E-004 atm-m3/mole (4.29E+001 Pa-m3/mole)

Group Method: 6.43E-004 atm-m3/mole (6.52E+001 Pa-m3/mole)

Exper Database: 7.75E-04 atm-m3/mole (7.85E+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: 5.549E-004 atm-m3/mole (5.622E+001 Pa-m3/mole)

VP: 142 mm Hg (source: MPBPVP)

WS: 2.97E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.73 (KowWin est)

Log Kaw used: -1.499 (exp database)

Log Koa (KOAWIN v1.10 estimate): 2.229

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8798

Biowin2 (Non-Linear Model) : 0.9971

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1447 (weeks )

Biowin4 (Primary Survey Model) : 3.9496 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7439

Biowin6 (MITI Non-Linear Model): 0.9143

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6829

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): 1.84E+004 Pa (138 mm Hg)

Log Koa (Koawin est ): 2.229

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

Mackay model : 1.63E-010

Octanol/air (Koa) model: 4.16E-011

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.89E-009

Mackay model : 1.3E-008

Octanol/air (Koa) model: 3.33E-009

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 3.4386 E-12 cm3/molecule-sec

Half-Life = 3.111 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 37.327 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

9.47E-009 (Junge-Pankow, Mackay avg)

3.33E-009 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5.583 L/kg (MCI method)

Log Koc: 0.747 (MCI method)

Koc : 18.34 L/kg (Kow method)

Log Koc: 1.263 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.114E+001 L/mol-sec

Kb Half-Life at pH 8: 17.278 hours

Kb Half-Life at pH 7: 7.199 days

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

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) = -1.9988 days (HL = 0.01003 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.022 (BCF = 1.053)

Log BAF Arnot-Gobas method (upper trophic) = 0.022 (BAF = 1.053)

log Kow used: 0.73 (estimated)

Volatilization from Water:

Henry LC: 0.000775 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.667 hours

Half-Life from Model Lake : 96.89 hours (4.037 days)

Removal In Wastewater Treatment:

Total removal: 26.21 percent

Total biodegradation: 0.07 percent

Total sludge adsorption: 1.40 percent

Total to Air: 24.73 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 25.6 74.7 1000

Water 49.3 360 1000

Soil 25.1 720 1000

Sediment 0.102 3.24e+003 0

Persistence Time: 151 hr

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