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:
SMILES : Cc1ccc(cc1)CC=COC
CHEM :
MOL FOR: C11 H14 O1
MOL WT : 162.23
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 3.09
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 235.97 (Adapted Stein & Brown method)
Melting Pt (deg C): 10.39 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0572 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 7.63 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 153.8
log Kow used: 3.09 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 252.25 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Vinyl/Allyl Ethers
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.00E-004 atm-m3/mole (8.11E+001 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: 7.939E-005 atm-m3/mole (8.044E+000 Pa-m3/mole)
VP: 0.0572 mm Hg (source: MPBPVP)
WS: 154 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.09 (KowWin est)
Log Kaw used: -1.485 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.575
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4323
Biowin2 (Non-Linear Model) : 0.1722
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6823 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4669 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2624
Biowin6 (MITI Non-Linear Model): 0.1787
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.5231
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 7.27 Pa (0.0545 mm Hg)
Log Koa (Koawin est ): 4.575
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.13E-007
Octanol/air (Koa) model: 9.23E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.49E-005
Mackay model : 3.3E-005
Octanol/air (Koa) model: 7.38E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 81.4211 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 91.3011 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 1.576 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 1.406 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 2.843750 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 5.687500 E-17 cm3/molecule-sec [Trans-]
Half-Life = 9.672 Hrs (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 4.836 Hrs (at 7E11 mol/cm3) [Trans-isomer]
Fraction sorbed to airborne particulates (phi):
2.4E-005 (Junge-Pankow, Mackay avg)
7.38E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 582.3 L/kg (MCI method)
Log Koc: 2.765 (MCI method)
Koc : 349.7 L/kg (Kow method)
Log Koc: 2.544 (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 = 1.705 (BCF = 50.74 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.0138 days (HL = 0.9687 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.993 (BCF = 98.43)
Log BAF Arnot-Gobas method (upper trophic) = 1.993 (BAF = 98.43)
log Kow used: 3.09 (estimated)
Volatilization from Water:
Henry LC: 0.0008 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.232 hours
Half-Life from Model Lake : 131.1 hours (5.464 days)
Removal In Wastewater Treatment:
Total removal: 29.69 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 5.54 percent
Total to Air: 24.05 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.337 2.38 1000
Water 14.9 900 1000
Soil 84.3 1.8e+003 1000
Sediment 0.479 8.1e+003 0
Persistence Time: 624 hr