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: 1746-13-0
SMILES : O(c(cccc1)c1)CC=C
CHEM : Benzene, (2-propenyloxy)-
MOL FOR: C9 H10 O1
MOL WT : 134.18
------------------------------ 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) = 2.92
Log Kow (Exper. database match) = 2.94
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 190.03 (Adapted Stein & Brown method)
Melting Pt (deg C): -18.89 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.545 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 72.6 (Mean VP of Antoine & Grain methods)
BP (exp database): 191.7 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 273
log Kow used: 2.94 (expkow database)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 94.428 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Vinyl/Allyl Ethers
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.18E-004 atm-m3/mole (4.24E+001 Pa-m3/mole)
Group Method: 6.00E-003 atm-m3/mole (6.08E+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: 3.525E-004 atm-m3/mole (3.571E+001 Pa-m3/mole)
VP: 0.545 mm Hg (source: MPBPVP)
WS: 273 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.94 (exp database)
Log Kaw used: -1.767 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.707
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9437
Biowin2 (Non-Linear Model) : 0.9942
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8665 (weeks )
Biowin4 (Primary Survey Model) : 3.7362 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6173
Biowin6 (MITI Non-Linear Model): 0.7485
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5606
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): 66.1 Pa (0.496 mm Hg)
Log Koa (Koawin est ): 4.707
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.54E-008
Octanol/air (Koa) model: 1.25E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.64E-006
Mackay model : 3.63E-006
Octanol/air (Koa) model: 1E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 53.5014 E-12 cm3/molecule-sec
Half-Life = 0.200 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.399 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec
Half-Life = 0.955 Days (at 7E11 mol/cm3)
Half-Life = 22.920 Hrs
Fraction sorbed to airborne particulates (phi):
2.63E-006 (Junge-Pankow, Mackay avg)
1E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 310.2 L/kg (MCI method)
Log Koc: 2.492 (MCI method)
Koc : 404.8 L/kg (Kow method)
Log Koc: 2.607 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.607 (BCF = 40.44 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.4253 days (HL = 0.3756 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.759 (BCF = 57.38)
Log BAF Arnot-Gobas method (upper trophic) = 1.759 (BAF = 57.38)
log Kow used: 2.94 (expkow database)
Volatilization from Water:
Henry LC: 0.006 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.295 hours
Half-Life from Model Lake : 111.3 hours (4.636 days)
Removal In Wastewater Treatment:
Total removal: 71.00 percent
Total biodegradation: 0.05 percent
Total sludge adsorption: 3.10 percent
Total to Air: 67.85 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.69 3.97 1000
Water 42.5 360 1000
Soil 54.3 720 1000
Sediment 0.568 3.24e+003 0
Persistence Time: 148 hr