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: 96-08-2
SMILES : O(C1(C(CC(O2)C2(C3)C)C3)C)C1
CHEM : 7-Oxabicyclo 4.1.0 heptane, 1-methyl-4-(2-methyloxiranyl)-
MOL FOR: C10 H16 O2
MOL WT : 168.24
------------------------------ EPI SUMMARY (v4.00) --------------------------
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 v1.67 estimate) = 2.03
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 201.70 (Adapted Stein & Brown method)
Melting Pt (deg C): 28.17 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.412 (Modified Grain method)
VP (Pa, 25 deg C) : 54.9 (Modified Grain method)
Subcooled liquid VP: 0.439 mm Hg (25 deg C, Mod-Grain method)
: 58.5 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1151
log Kow used: 2.03 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 7025.9 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Epoxides, Poly
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.50E-007 atm-m3/mole (2.54E-002 Pa-m3/mole)
Group Method: 2.68E-008 atm-m3/mole (2.72E-003 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: 7.924E-005 atm-m3/mole (8.029E+000 Pa-m3/mole)
VP: 0.412 mm Hg (source: MPBPVP)
WS: 1.15E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.03 (KowWin est)
Log Kaw used: -4.991 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.021
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.3951
Biowin2 (Non-Linear Model) : 0.0001
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.3858 (weeks-months)
Biowin4 (Primary Survey Model) : 3.2787 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4544
Biowin6 (MITI Non-Linear Model): 0.2647
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.9072
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): 58.5 Pa (0.439 mm Hg)
Log Koa (Koawin est ): 7.021
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.13E-008
Octanol/air (Koa) model: 2.58E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.85E-006
Mackay model : 4.1E-006
Octanol/air (Koa) model: 0.000206
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 19.4893 E-12 cm3/molecule-sec
Half-Life = 0.549 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.586 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.98E-006 (Junge-Pankow, Mackay avg)
0.000206 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 61.47 L/kg (MCI method)
Log Koc: 1.789 (MCI method)
Koc : 73.58 L/kg (Kow method)
Log Koc: 1.867 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Ka (acid-catalyzed) at 25 deg C : 6.208E-001 L/mol-sec
Ka Half-Life at pH 7: 129.221 days
(Total Ka applies to epoxide(s) only)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 1.008 (BCF = 10.19 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.4390 days (HL = 0.3639 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.041 (BCF = 10.98)
Log BAF Arnot-Gobas method (upper trophic) = 1.041 (BAF = 10.98)
log Kow used: 2.03 (estimated)
Volatilization from Water:
Henry LC: 2.5E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3039 hours (126.6 days)
Half-Life from Model Lake : 3.326E+004 hours (1386 days)
Removal In Wastewater Treatment:
Total removal: 2.29 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.18 percent
Total to Air: 0.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.506 13.2 1000
Water 26.2 900 1000
Soil 73.2 1.8e+003 1000
Sediment 0.127 8.1e+003 0
Persistence Time: 941 hr