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 Num: 071078-31-4
SMILES : O(C(C(=CCC1C)C)(C=C2)C1C)C2C
CHEM : 1-Oxaspiro[4.5]deca-3,6-diene, 2,6,9,10-tetramethyl-
MOL FOR: C13 H20 O1
MOL WT : 192.30
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 4.54
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 244.03 (Adapted Stein & Brown method)
Melting Pt (deg C): 34.88 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0471 (Modified Grain method)
VP (Pa, 25 deg C) : 6.28 (Modified Grain method)
Subcooled liquid VP: 0.0578 mm Hg (25 deg C, Mod-Grain method)
: 7.7 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 6.365
log Kow used: 4.54 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 37.201 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 : 3.45E-003 atm-m3/mole (3.50E+002 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: 1.872E-003 atm-m3/mole (1.897E+002 Pa-m3/mole)
VP: 0.0471 mm Hg (source: MPBPVP)
WS: 6.37 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.54 (KowWin est)
Log Kaw used: -0.851 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.391
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.1247
Biowin2 (Non-Linear Model) : 0.0076
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5534 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4071 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2864
Biowin6 (MITI Non-Linear Model): 0.0616
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.2959
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): 7.71 Pa (0.0578 mm Hg)
Log Koa (Koawin est ): 5.391
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.89E-007
Octanol/air (Koa) model: 6.04E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.41E-005
Mackay model : 3.11E-005
Octanol/air (Koa) model: 4.83E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 163.9471 E-12 cm3/molecule-sec
Half-Life = 0.065 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.783 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 8.531250 E-17 cm3/molecule-sec
Half-Life = 0.134 Days (at 7E11 mol/cm3)
Half-Life = 3.224 Hrs
Fraction sorbed to airborne particulates (phi):
2.26E-005 (Junge-Pankow, Mackay avg)
4.83E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1406 L/kg (MCI method)
Log Koc: 3.148 (MCI method)
Koc : 2217 L/kg (Kow method)
Log Koc: 3.346 (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 v3.00):
Log BCF from regression-based method = 2.662 (BCF = 459 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.1018 days (HL = 12.64 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.310 (BCF = 2042)
Log BAF Arnot-Gobas method (upper trophic) = 3.387 (BAF = 2436)
log Kow used: 4.54 (estimated)
Volatilization from Water:
Henry LC: 0.00345 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.65 hours
Half-Life from Model Lake : 134.3 hours (5.595 days)
Removal In Wastewater Treatment:
Total removal: 76.49 percent
Total biodegradation: 0.35 percent
Total sludge adsorption: 47.46 percent
Total to Air: 28.68 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.207 1.05 1000
Water 16.3 900 1000
Soil 82.2 1.8e+003 1000
Sediment 1.28 8.1e+003 0
Persistence Time: 503 hr