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: 007495-84-3
SMILES : O=C(Oc1ccc(cc1)C)CC
CHEM : Propanoic acid, 4-methylphenyl ester
MOL FOR: C10 H12 O2
MOL WT : 164.21
------------------------------ 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) = 2.63
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 234.30 (Adapted Stein & Brown method)
Melting Pt (deg C): 16.86 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0624 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 8.33 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 372.8
log Kow used: 2.63 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 273.8 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.50E-005 atm-m3/mole (9.62E+000 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 3.617E-005 atm-m3/mole (3.664E+000 Pa-m3/mole)
VP: 0.0624 mm Hg (source: MPBPVP)
WS: 373 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.63 (KowWin est)
Log Kaw used: -2.411 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.041
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8982
Biowin2 (Non-Linear Model) : 0.9952
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9017 (weeks )
Biowin4 (Primary Survey Model) : 3.7713 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6915
Biowin6 (MITI Non-Linear Model): 0.8128
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2009
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): 7.91 Pa (0.0593 mm Hg)
Log Koa (Koawin est ): 5.041
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.79E-007
Octanol/air (Koa) model: 2.7E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.37E-005
Mackay model : 3.04E-005
Octanol/air (Koa) model: 2.16E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 4.3317 E-12 cm3/molecule-sec
Half-Life = 2.469 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 29.631 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.2E-005 (Junge-Pankow, Mackay avg)
2.16E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 192.5 L/kg (MCI method)
Log Koc: 2.284 (MCI method)
Koc : 206.2 L/kg (Kow method)
Log Koc: 2.314 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 7.367E-001 L/mol-sec
Kb Half-Life at pH 8: 10.889 days
Kb Half-Life at pH 7: 108.889 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 1.401 (BCF = 25.18 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.9129 days (HL = 0.1222 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.358 (BCF = 22.79)
Log BAF Arnot-Gobas method (upper trophic) = 1.358 (BAF = 22.79)
log Kow used: 2.63 (estimated)
Volatilization from Water:
Henry LC: 9.5E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 9.205 hours
Half-Life from Model Lake : 207.9 hours (8.661 days)
Removal In Wastewater Treatment:
Total removal: 8.00 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 3.31 percent
Total to Air: 4.59 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 4.6 59.3 1000
Water 23.3 360 1000
Soil 71.9 720 1000
Sediment 0.216 3.24e+003 0
Persistence Time: 422 hr