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CAS Num: 000589-40-2


CHEM : Formic acid, 1-methylpropyl ester

MOL FOR: C5 H10 O2

MOL WT : 102.13

------------------------------ 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) = 1.23

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

Boiling Pt (deg C): 89.97 (Adapted Stein & Brown method)

Melting Pt (deg C): -72.24 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 42.6 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 5.68E+003 (Mean VP of Antoine & Grain methods)

BP (exp database): 97 deg C

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

Water Solubility at 25 deg C (mg/L): 1.035e+004

log Kow used: 1.23 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 13368 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 5.62E-004 atm-m3/mole (5.69E+001 Pa-m3/mole)

Group Method: 9.09E-004 atm-m3/mole (9.21E+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: 5.531E-004 atm-m3/mole (5.604E+001 Pa-m3/mole)

VP: 42.6 mm Hg (source: MPBPVP)

WS: 1.04E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.23 (KowWin est)

Log Kaw used: -1.639 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 2.869

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8731

Biowin2 (Non-Linear Model) : 0.9965

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1137 (weeks )

Biowin4 (Primary Survey Model) : 3.9293 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7516

Biowin6 (MITI Non-Linear Model): 0.9162

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7089

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): 5.41E+003 Pa (40.6 mm Hg)

Log Koa (Koawin est ): 2.869

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

Mackay model : 5.54E-010

Octanol/air (Koa) model: 1.82E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2E-008

Mackay model : 4.43E-008

Octanol/air (Koa) model: 1.45E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 5.3013 E-12 cm3/molecule-sec

Half-Life = 2.018 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 24.211 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.22E-008 (Junge-Pankow, Mackay avg)

1.45E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 10.65 L/kg (MCI method)

Log Koc: 1.027 (MCI method)

Koc : 34.66 L/kg (Kow method)

Log Koc: 1.540 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 7.688E+000 L/mol-sec

Kb Half-Life at pH 8: 1.043 days

Kb Half-Life at pH 7: 10.435 days

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 0.476 (BCF = 2.99 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.8597 days (HL = 0.01381 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.168 (BCF = 1.471)

Log BAF Arnot-Gobas method (upper trophic) = 0.168 (BAF = 1.471)

log Kow used: 1.23 (estimated)

Volatilization from Water:

Henry LC: 0.000909 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.682 hours

Half-Life from Model Lake : 103.1 hours (4.295 days)

Removal In Wastewater Treatment:

Total removal: 29.02 percent

Total biodegradation: 0.07 percent

Total sludge adsorption: 1.40 percent

Total to Air: 27.55 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 21.3 48.4 1000

Water 50.1 360 1000

Soil 28.6 720 1000

Sediment 0.114 3.24e+003 0

Persistence Time: 145 hr

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