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 : CC=2CCC1C(CC(C)(C=C)OC1(C)C)C=2
CHEM :
MOL FOR: C15 H24 O1
MOL WT : 220.36
------------------------------ 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) = 5.79
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 264.44 (Adapted Stein & Brown method)
Melting Pt (deg C): 53.18 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0117 (Modified Grain method)
VP (Pa, 25 deg C) : 1.56 (Modified Grain method)
Subcooled liquid VP: 0.0212 mm Hg (25 deg C, Mod-Grain method)
: 2.83 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.392
log Kow used: 5.79 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.89943 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 : Incomplete
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: 8.654E-003 atm-m3/mole (8.769E+002 Pa-m3/mole)
VP: 0.0117 mm Hg (source: MPBPVP)
WS: 0.392 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Can Not Estimate (can not calculate HenryLC)
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.0726
Biowin2 (Non-Linear Model) : 0.0009
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.2793 (weeks-months)
Biowin4 (Primary Survey Model) : 3.2132 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3100
Biowin6 (MITI Non-Linear Model): 0.0653
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.8702
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): 2.83 Pa (0.0212 mm Hg)
Log Koa (): not available
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.06E-006
Octanol/air (Koa) model: not available
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.83E-005
Mackay model : 8.49E-005
Octanol/air (Koa) model: not available
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 44.1369 E-12 cm3/molecule-sec
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec
Half-Life = 6.549 Days (at 7E11 mol/cm3)
Fraction sorbed to airborne particulates (phi):
6.16E-005 (Junge-Pankow, Mackay avg)
not available (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1978 L/kg (MCI method)
Log Koc: 3.296 (MCI method)
Koc : 1.089E+004 L/kg (Kow method)
Log Koc: 4.037 (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 = 3.485 (BCF = 3054 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.3074 days (HL = 20.3 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.740 (BCF = 5496)
Log BAF Arnot-Gobas method (upper trophic) = 4.633 (BAF = 4.299e+004)
log Kow used: 5.79 (estimated)
Volatilization from Water:
Henry LC: 0.00865 atm-m3/mole (calculated from VP/WS)
Half-Life from Model River: 1.615 hours
Half-Life from Model Lake : 142.1 hours (5.921 days)
Removal In Wastewater Treatment:
Total removal: 92.78 percent
Total biodegradation: 0.65 percent
Total sludge adsorption: 83.81 percent
Total to Air: 8.32 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.42 5.61 1000
Water 20.7 900 1000
Soil 75.6 1.8e+003 1000
Sediment 2.25 8.1e+003 0
Persistence Time: 391 hr