This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Num: 000107-31-3
SMILES : O=COC
CHEM : Formic acid, methyl ester
MOL FOR: C2 H4 O2
MOL WT : 60.05
------------------------------ 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) = -0.17
Log Kow (Exper. database match) = 0.03
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 28.88 (Adapted Stein & Brown method)
Melting Pt (deg C): -99.48 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 592 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 7.89E+004 (Mean VP of Antoine & Grain methods)
MP (exp database): -99 deg C
BP (exp database): 31.7 deg C
VP (exp database): 5.86E+02 mm Hg (7.81E+004 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.293e+005
log Kow used: 0.03 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 2.3e+005 mg/L (25 deg C)
Exper. Ref: RIDDICK,JA ET AL. (1986)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.9153e+005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.40E-004 atm-m3/mole (2.43E+001 Pa-m3/mole)
Group Method: 2.03E-004 atm-m3/mole (2.06E+001 Pa-m3/mole)
Exper Database: 2.23E-04 atm-m3/mole (2.26E+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: 3.618E-004 atm-m3/mole (3.666E+001 Pa-m3/mole)
VP: 592 mm Hg (source: MPBPVP)
WS: 1.29E+005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.03 (exp database)
Log Kaw used: -2.040 (exp database)
Log Koa (KOAWIN v1.10 estimate): 2.070
Log Koa (experimental database): 1.750
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8931
Biowin2 (Non-Linear Model) : 0.9980
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.2067 (weeks )
Biowin4 (Primary Survey Model) : 3.9901 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8776
Biowin6 (MITI Non-Linear Model): 0.9629
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.9284
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): 7.81E+004 Pa (586 mm Hg)
Log Koa (Exp database): 1.750
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.84E-011
Octanol/air (Koa) model: 1.38E-011
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.39E-009
Mackay model : 3.07E-009
Octanol/air (Koa) model: 1.1E-009
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.2176 E-12 cm3/molecule-sec
Half-Life = 49.154 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.23E-009 (Junge-Pankow, Mackay avg)
1.1E-009 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.999 L/kg (MCI method)
Log Koc: 0.301 (MCI method)
Koc : 7.518 L/kg (Kow method)
Log Koc: 0.876 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.570E+001 L/mol-sec
Kb Half-Life at pH 8: 12.266 hours
Kb Half-Life at pH 7: 5.111 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) = -2.1973 days (HL = 0.006349 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.038 (BCF = 0.916)
Log BAF Arnot-Gobas method (upper trophic) = -0.038 (BAF = 0.916)
log Kow used: 0.03 (expkow database)
Volatilization from Water:
Henry LC: 0.000223 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 2.825 hours
Half-Life from Model Lake : 95.8 hours (3.992 days)
Removal In Wastewater Treatment:
Total removal: 11.34 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.61 percent
Total to Air: 9.64 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 25.8 1.13e+003 1000
Water 41.8 360 1000
Soil 32.4 720 1000
Sediment 0.08 3.24e+003 0
Persistence Time: 234 hr