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 Number: 2210-28-8
SMILES : O=C(OCCC)C(=C)C
CHEM : 2-Propenoic acid, 2-methyl-, propyl ester
MOL FOR: C7 H12 O2
MOL WT : 128.17
------------------------------ 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) = 2.26
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 140.63 (Adapted Stein & Brown method)
Melting Pt (deg C): -54.73 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.07 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 810 (Mean VP of Antoine & Grain methods)
BP (exp database): 141 deg C
VP (exp database): 6.38E+00 mm Hg (8.51E+002 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1104
log Kow used: 2.26 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2358.8 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Methacrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.55E-004 atm-m3/mole (2.59E+001 Pa-m3/mole)
Group Method: 5.60E-004 atm-m3/mole (5.68E+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: 9.272E-004 atm-m3/mole (9.395E+001 Pa-m3/mole)
VP: 6.07 mm Hg (source: MPBPVP)
WS: 1.1E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.26 (KowWin est)
Log Kaw used: -1.982 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.242
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8607
Biowin2 (Non-Linear Model) : 0.9949
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0561 (weeks )
Biowin4 (Primary Survey Model) : 3.8918 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7866
Biowin6 (MITI Non-Linear Model): 0.9026
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7537
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): 851 Pa (6.38 mm Hg)
Log Koa (Koawin est ): 4.242
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.53E-009
Octanol/air (Koa) model: 4.29E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.27E-007
Mackay model : 2.82E-007
Octanol/air (Koa) model: 3.43E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 21.2802 E-12 cm3/molecule-sec
Half-Life = 0.503 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.032 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec
Half-Life = 1.007 Days (at 7E11 mol/cm3)
Half-Life = 24.179 Hrs
Fraction sorbed to airborne particulates (phi):
2.05E-007 (Junge-Pankow, Mackay avg)
3.43E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 30.36 L/kg (MCI method)
Log Koc: 1.482 (MCI method)
Koc : 128.7 L/kg (Kow method)
Log Koc: 2.110 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.727E-003 L/mol-sec
Kb Half-Life at pH 8: 8.054 years
Kb Half-Life at pH 7: 80.536 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.156 (BCF = 14.33 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.1962 days (HL = 0.06365 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.004 (BCF = 10.09)
Log BAF Arnot-Gobas method (upper trophic) = 1.004 (BAF = 10.09)
log Kow used: 2.26 (estimated)
Volatilization from Water:
Henry LC: 0.00056 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 2.339 hours
Half-Life from Model Lake : 120.4 hours (5.018 days)
Removal In Wastewater Treatment:
Total removal: 21.68 percent
Total biodegradation: 0.08 percent
Total sludge adsorption: 2.11 percent
Total to Air: 19.49 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 3.94 8.05 1000
Water 42.5 360 1000
Soil 53.4 720 1000
Sediment 0.132 3.24e+003 0
Persistence Time: 180 hr