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: 001731-84-6
SMILES : O=C(OC)CCCCCCCC
CHEM : Nonanoic acid, methyl ester
MOL FOR: C10 H20 O2
MOL WT : 172.27
------------------------------ 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) = 3.81
Log Kow (Exper. database match) = 4.32
Exper. Ref: TEWARI,YB ET AL. (1982)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 210.70 (Adapted Stein & Brown method)
Melting Pt (deg C): -9.50 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.183 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 24.4 (Mean VP of Antoine & Grain methods)
BP (exp database): 213.5 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 12.27
log Kow used: 4.32 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 22.9 mg/L (25 deg C)
Exper. Ref: WASIK,SP ET AL. (1981)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 45.656 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.27E-003 atm-m3/mole (1.29E+002 Pa-m3/mole)
Group Method: 1.31E-003 atm-m3/mole (1.33E+002 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: 3.381E-003 atm-m3/mole (3.425E+002 Pa-m3/mole)
VP: 0.183 mm Hg (source: MPBPVP)
WS: 12.3 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.32 (exp database)
Log Kaw used: -1.285 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.605
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9481
Biowin2 (Non-Linear Model) : 0.9985
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.2570 (days-weeks )
Biowin4 (Primary Survey Model) : 4.0972 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8901
Biowin6 (MITI Non-Linear Model): 0.9545
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7130
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): 22.5 Pa (0.169 mm Hg)
Log Koa (Koawin est ): 5.605
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.33E-007
Octanol/air (Koa) model: 9.89E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.81E-006
Mackay model : 1.07E-005
Octanol/air (Koa) model: 7.91E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 8.9551 E-12 cm3/molecule-sec
Half-Life = 1.194 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 14.333 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
7.73E-006 (Junge-Pankow, Mackay avg)
7.91E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 214.1 L/kg (MCI method)
Log Koc: 2.331 (MCI method)
Koc : 1774 L/kg (Kow method)
Log Koc: 3.249 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.016E-002 L/mol-sec
Kb Half-Life at pH 8: 266.000 days
Kb Half-Life at pH 7: 7.283 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 1.143 (BCF = 13.9 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.7180 days (HL = 0.1914 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.898 (BCF = 79.03)
Log BAF Arnot-Gobas method (upper trophic) = 1.898 (BAF = 79.03)
log Kow used: 4.32 (expkow database)
Volatilization from Water:
Henry LC: 0.00131 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.926 hours
Half-Life from Model Lake : 131.1 hours (5.461 days)
Removal In Wastewater Treatment:
Total removal: 60.86 percent
Total biodegradation: 0.35 percent
Total sludge adsorption: 40.73 percent
Total to Air: 19.78 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 8.55 28.7 1000
Water 27.3 208 1000
Soil 63.9 416 1000
Sediment 0.222 1.87e+003 0
Persistence Time: 193 hr