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: 8024-27-9
SMILES : CC(=C)C1CC(CCC1(C)C=C)C(C)(C)O
CHEM : 2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)propan-2-ol
MOL FOR: C15 H26 O1
MOL WT : 222.37
------------------------------ 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) = 5.54
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 275.00 (Adapted Stein & Brown method)
Melting Pt (deg C): 50.56 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000385 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0514 (Modified Grain method)
Subcooled liquid VP: 0.000662 mm Hg (25 deg C, Mod-Grain method)
: 0.0882 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.99
log Kow used: 5.54 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 10.501 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.11E-005 atm-m3/mole (4.16E+000 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: 5.661E-005 atm-m3/mole (5.736E+000 Pa-m3/mole)
VP: 0.000385 mm Hg (source: MPBPVP)
WS: 1.99 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.54 (KowWin est)
Log Kaw used: -2.775 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.315
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2738
Biowin2 (Non-Linear Model) : 0.0267
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.2835 (weeks-months)
Biowin4 (Primary Survey Model) : 3.2200 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3025
Biowin6 (MITI Non-Linear Model): 0.0813
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.7994
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): 0.0883 Pa (0.000662 mm Hg)
Log Koa (Koawin est ): 8.315
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.4E-005
Octanol/air (Koa) model: 5.07E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00123
Mackay model : 0.00271
Octanol/air (Koa) model: 0.00404
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 97.5042 E-12 cm3/molecule-sec
Half-Life = 0.110 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.316 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.375000 E-17 cm3/molecule-sec
Half-Life = 0.833 Days (at 7E11 mol/cm3)
Half-Life = 20.003 Hrs
Fraction sorbed to airborne particulates (phi):
0.00197 (Junge-Pankow, Mackay avg)
0.00404 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1090 L/kg (MCI method)
Log Koc: 3.038 (MCI method)
Koc : 3784 L/kg (Kow method)
Log Koc: 3.578 (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 = 3.326 (BCF = 2116 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.7886 days (HL = 6.147 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.328 (BCF = 2127)
Log BAF Arnot-Gobas method (upper trophic) = 3.525 (BAF = 3351)
log Kow used: 5.54 (estimated)
Volatilization from Water:
Henry LC: 4.11E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 22.76 hours
Half-Life from Model Lake : 373.4 hours (15.56 days)
Removal In Wastewater Treatment:
Total removal: 88.79 percent
Total biodegradation: 0.75 percent
Total sludge adsorption: 87.92 percent
Total to Air: 0.13 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.129 2.33 1000
Water 16.1 900 1000
Soil 82.9 1.8e+003 1000
Sediment 0.958 8.1e+003 0
Persistence Time: 999 hr