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: 4696-26-8
SMILES : CCOC=CC
CHEM :
MOL FOR: C5 H10 O1
MOL WT : 86.13
------------------------------ 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) = 1.33
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 80.18 (Adapted Stein & Brown method)
Melting Pt (deg C): -88.37 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 161 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.14E+004 (Mean VP of Antoine & Grain methods)
BP (exp database): 67-76 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 9382
log Kow used: 1.33 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 35500 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 : 1.19E-002 atm-m3/mole (1.21E+003 Pa-m3/mole)
Group Method: 5.48E-003 atm-m3/mole (5.55E+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: 1.945E-003 atm-m3/mole (1.971E+002 Pa-m3/mole)
VP: 161 mm Hg (source: MPBPVP)
WS: 9.38E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.33 (KowWin est)
Log Kaw used: -0.313 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 1.643
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.3592
Biowin2 (Non-Linear Model) : 0.1619
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0002 (weeks )
Biowin4 (Primary Survey Model) : 3.7137 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5200
Biowin6 (MITI Non-Linear Model): 0.6124
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2986
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): 2.09E+004 Pa (157 mm Hg)
Log Koa (Koawin est ): 1.643
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.43E-010
Octanol/air (Koa) model: 1.08E-011
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.18E-009
Mackay model : 1.15E-008
Octanol/air (Koa) model: 8.63E-010
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 79.6294 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 89.5094 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 1.612 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 1.434 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):
8.32E-009 (Junge-Pankow, Mackay avg)
8.63E-010 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 17.68 L/kg (MCI method)
Log Koc: 1.247 (MCI method)
Koc : 37.17 L/kg (Kow method)
Log Koc: 1.570 (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 = 0.541 (BCF = 3.479 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.6618 days (HL = 0.2179 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.459 (BCF = 2.879)
Log BAF Arnot-Gobas method (upper trophic) = 0.459 (BAF = 2.879)
log Kow used: 1.33 (estimated)
Volatilization from Water:
Henry LC: 0.00548 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.046 hours
Half-Life from Model Lake : 89.23 hours (3.718 days)
Removal In Wastewater Treatment:
Total removal: 68.60 percent
Total biodegradation: 0.04 percent
Total sludge adsorption: 0.79 percent
Total to Air: 67.77 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.632 0.41 1000
Water 84.5 360 1000
Soil 14.6 720 1000
Sediment 0.217 3.24e+003 0
Persistence Time: 74.9 hr