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: 037973-51-6
SMILES : O=C(OC=C(c(cccc1)c1)C)C
CHEM : 1-Propen-1-ol, 2-phenyl-, acetate, (E)-
MOL FOR: C11 H12 O2
MOL WT : 176.22
------------------------------ 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) = 2.90
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 252.76 (Adapted Stein & Brown method)
Melting Pt (deg C): 12.10 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0235 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 3.13 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 190.1
log Kow used: 2.90 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 301.99 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Vinyl/Allyl Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.18E-005 atm-m3/mole (8.29E+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: 2.866E-005 atm-m3/mole (2.904E+000 Pa-m3/mole)
VP: 0.0235 mm Hg (source: MPBPVP)
WS: 190 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.90 (KowWin est)
Log Kaw used: -2.476 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.376
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9659
Biowin2 (Non-Linear Model) : 0.9983
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9720 (weeks )
Biowin4 (Primary Survey Model) : 3.8273 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5797
Biowin6 (MITI Non-Linear Model): 0.6348
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5163
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): 3.08 Pa (0.0231 mm Hg)
Log Koa (Koawin est ): 5.376
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 9.74E-007
Octanol/air (Koa) model: 5.83E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.52E-005
Mackay model : 7.79E-005
Octanol/air (Koa) model: 4.67E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 88.9113 E-12 cm3/molecule-sec
Half-Life = 0.120 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.444 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 13.650000 E-17 cm3/molecule-sec
Half-Life = 0.084 Days (at 7E11 mol/cm3)
Half-Life = 2.015 Hrs
Fraction sorbed to airborne particulates (phi):
5.65E-005 (Junge-Pankow, Mackay avg)
4.67E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 342 L/kg (MCI method)
Log Koc: 2.534 (MCI method)
Koc : 290.8 L/kg (Kow method)
Log Koc: 2.464 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.346E-001 L/mol-sec
Kb Half-Life at pH 8: 59.577 days
Kb Half-Life at pH 7: 1.631 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 1.583 (BCF = 38.31 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.9668 days (HL = 0.1079 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.457 (BCF = 28.64)
Log BAF Arnot-Gobas method (upper trophic) = 1.457 (BAF = 28.64)
log Kow used: 2.90 (estimated)
Volatilization from Water:
Henry LC: 8.18E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 10.86 hours
Half-Life from Model Lake : 229.7 hours (9.572 days)
Removal In Wastewater Treatment:
Total removal: 8.76 percent
Total biodegradation: 0.11 percent
Total sludge adsorption: 4.69 percent
Total to Air: 3.95 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.164 1.19 1000
Water 23 360 1000
Soil 76.5 720 1000
Sediment 0.332 3.24e+003 0
Persistence Time: 420 hr