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: 66465-62-1
SMILES : O(C(C1)C2(C)C)C(C1)(C)C2=CC=CC
CHEM : 7-Oxabicyclo[2.2.1]heptane, 2-(2-butenylidene)-1,3,3-trimethyl-, (Z,E
)- (9CI)
MOL FOR: C13 H20 O1
MOL WT : 192.30
------------------------------ EPI SUMMARY (v4.11) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 4.23
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 239.59 (Adapted Stein & Brown method)
Melting Pt (deg C): 41.12 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0512 (Modified Grain method)
VP (Pa, 25 deg C) : 6.83 (Modified Grain method)
Subcooled liquid VP: 0.0717 mm Hg (25 deg C, Mod-Grain method)
: 9.56 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 11.62
log Kow used: 4.23 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 52.41 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 : 3.54E-004 atm-m3/mole (3.59E+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: 1.115E-003 atm-m3/mole (1.130E+002 Pa-m3/mole)
VP: 0.0512 mm Hg (source: MPBPVP)
WS: 11.6 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.23 (KowWin est)
Log Kaw used: -1.839 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.069
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.0492
Biowin2 (Non-Linear Model) : 0.0085
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6396 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5227 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3489
Biowin6 (MITI Non-Linear Model): 0.1384
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.1468
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): 9.56 Pa (0.0717 mm Hg)
Log Koa (Koawin est ): 6.069
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.14E-007
Octanol/air (Koa) model: 2.88E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.13E-005
Mackay model : 2.51E-005
Octanol/air (Koa) model: 2.3E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 201.7576 E-12 cm3/molecule-sec
Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.636 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 5.265000 E-17 cm3/molecule-sec
Half-Life = 0.218 Days (at 7E11 mol/cm3)
Half-Life = 5.224 Hrs
Fraction sorbed to airborne particulates (phi):
1.82E-005 (Junge-Pankow, Mackay avg)
2.3E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1316 L/kg (MCI method)
Log Koc: 3.119 (MCI method)
Koc : 1494 L/kg (Kow method)
Log Koc: 3.174 (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 = 2.460 (BCF = 288.2 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.8144 days (HL = 6.523 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.027 (BCF = 1063)
Log BAF Arnot-Gobas method (upper trophic) = 3.040 (BAF = 1096)
log Kow used: 4.23 (estimated)
Volatilization from Water:
Henry LC: 0.000354 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.709 hours
Half-Life from Model Lake : 156.7 hours (6.531 days)
Removal In Wastewater Treatment:
Total removal: 47.73 percent
Total biodegradation: 0.38 percent
Total sludge adsorption: 39.22 percent
Total to Air: 8.13 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0873 1.02 1000
Water 12 900 1000
Soil 87 1.8e+003 1000
Sediment 0.881 8.1e+003 0
Persistence Time: 871 hr