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: 53643-07-5
SMILES : C12=CC(O)CC(C)C1(C)CC(C(C)=C)CC2
CHEM : 4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-
ol
MOL FOR: C15 H24 O1
MOL WT : 220.36
------------------------------ EPI SUMMARY (v4.00) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 4.63
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 303.30 (Adapted Stein & Brown method)
Melting Pt (deg C): 72.34 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.9E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0052 (Modified Grain method)
Subcooled liquid VP: 0.000109 mm Hg (25 deg C, Mod-Grain method)
: 0.0146 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 12.44
log Kow used: 4.63 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 6.2253 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
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: 9.090E-007 atm-m3/mole (9.210E-002 Pa-m3/mole)
VP: 3.9E-005 mm Hg (source: MPBPVP)
WS: 12.4 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) : 0.6174
Biowin2 (Non-Linear Model) : 0.3261
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6601 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5058 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4276
Biowin6 (MITI Non-Linear Model): 0.1314
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0734
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): 0.0145 Pa (0.000109 mm Hg)
Log Koa (): not available
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000206
Octanol/air (Koa) model: not available
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0074
Mackay model : 0.0162
Octanol/air (Koa) model: not available
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 76.7404 E-12 cm3/molecule-sec
Half-Life = 0.139 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.673 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec
Half-Life = 0.955 Days (at 7E11 mol/cm3)
Half-Life = 22.920 Hrs
Fraction sorbed to airborne particulates (phi):
0.0118 (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 : 1432 L/kg (MCI method)
Log Koc: 3.156 (MCI method)
Koc : 1188 L/kg (Kow method)
Log Koc: 3.075 (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 = 2.719 (BCF = 523.3 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.9755 days (HL = 9.452 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.297 (BCF = 1983)
Log BAF Arnot-Gobas method (upper trophic) = 3.357 (BAF = 2274)
log Kow used: 4.63 (estimated)
Volatilization from Water:
Henry LC: 9.09E-007 atm-m3/mole (calculated from VP/WS)
Half-Life from Model River: 957.6 hours (39.9 days)
Half-Life from Model Lake : 1.057E+004 hours (440.5 days)
Removal In Wastewater Treatment:
Total removal: 62.66 percent
Total biodegradation: 0.57 percent
Total sludge adsorption: 62.08 percent
Total to Air: 0.02 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.126 2.92 1000
Water 17.9 900 1000
Soil 80.5 1.8e+003 1000
Sediment 1.44 8.1e+003 0
Persistence Time: 1.06e+003 hr