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: 85232-76-4
SMILES : CCC(C(=CC1CC2CC1(C=C2)C)C)O
CHEM : (E)-2-methyl-1-(4-methyl-5-bicyclo[2.2.1]hept-2-enyl)pent-1-en-3-ol
MOL FOR: C14 H22 O1
MOL WT : 206.33
------------------------------ 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) = 4.48
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 286.53 (Adapted Stein & Brown method)
Melting Pt (deg C): 53.79 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000173 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0231 (Modified Grain method)
Subcooled liquid VP: 0.000319 mm Hg (25 deg C, Mod-Grain method)
: 0.0425 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 19.63
log Kow used: 4.48 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 24.054 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Vinyl/Allyl Alcohols
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.90E-005 atm-m3/mole (1.93E+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: 2.393E-006 atm-m3/mole (2.424E-001 Pa-m3/mole)
VP: 0.000173 mm Hg (source: MPBPVP)
WS: 19.6 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.48 (KowWin est)
Log Kaw used: -3.110 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.590
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6241
Biowin2 (Non-Linear Model) : 0.3713
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6911 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5261 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4099
Biowin6 (MITI Non-Linear Model): 0.2075
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.1257
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): 0.0425 Pa (0.000319 mm Hg)
Log Koa (Koawin est ): 7.590
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.05E-005
Octanol/air (Koa) model: 9.55E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00254
Mackay model : 0.00561
Octanol/air (Koa) model: 0.000763
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 157.9748 E-12 cm3/molecule-sec
Half-Life = 0.068 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.812 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 44.137501 E-17 cm3/molecule-sec
Half-Life = 0.026 Days (at 7E11 mol/cm3)
Half-Life = 37.389 Min
Fraction sorbed to airborne particulates (phi):
0.00408 (Junge-Pankow, Mackay avg)
0.000763 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 904.4 L/kg (MCI method)
Log Koc: 2.956 (MCI method)
Koc : 981 L/kg (Kow method)
Log Koc: 2.992 (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 = 2.623 (BCF = 419.5 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.6808 days (HL = 4.795 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.079 (BCF = 1199)
Log BAF Arnot-Gobas method (upper trophic) = 3.092 (BAF = 1237)
log Kow used: 4.48 (estimated)
Volatilization from Water:
Henry LC: 1.9E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 45.73 hours (1.905 days)
Half-Life from Model Lake : 619.3 hours (25.8 days)
Removal In Wastewater Treatment:
Total removal: 55.26 percent
Total biodegradation: 0.51 percent
Total sludge adsorption: 54.31 percent
Total to Air: 0.44 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0235 0.45 1000
Water 17.3 900 1000
Soil 81.8 1.8e+003 1000
Sediment 0.866 8.1e+003 0
Persistence Time: 1.01e+003 hr