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: 198404-98-7
SMILES : CC1(C(CC2C1(C2)C)CC3CC3(C)CO)C
CHEM : [(1R,2S)-1-methyl-2-[[(1R,3S,5S)-1,2,2-trimethyl-3-bicyclo[3.1.0]hexa
nyl]methyl]cyclopropyl]methanol
MOL FOR: C15 H26 O1
MOL WT : 222.37
------------------------------ 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) = 5.35
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 289.66 (Adapted Stein & Brown method)
Melting Pt (deg C): 81.42 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 7.56E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0101 (Modified Grain method)
Subcooled liquid VP: 0.000261 mm Hg (25 deg C, Mod-Grain method)
: 0.0348 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 2.907
log Kow used: 5.35 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.3752 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.22E-005 atm-m3/mole (1.24E+000 Pa-m3/mole)
Group Method: 1.99E-006 atm-m3/mole (2.01E-001 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 7.609E-006 atm-m3/mole (7.710E-001 Pa-m3/mole)
VP: 7.56E-005 mm Hg (source: MPBPVP)
WS: 2.91 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.35 (KowWin est)
Log Kaw used: -3.302 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.652
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2486
Biowin2 (Non-Linear Model) : 0.0148
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.2314 (months )
Biowin4 (Primary Survey Model) : 3.1960 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6116
Biowin6 (MITI Non-Linear Model): 0.3929
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.5418
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): 0.0348 Pa (0.000261 mm Hg)
Log Koa (Koawin est ): 8.652
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 8.62E-005
Octanol/air (Koa) model: 0.00011
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0031
Mackay model : 0.00685
Octanol/air (Koa) model: 0.00874
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 9.6328 E-12 cm3/molecule-sec
Half-Life = 1.110 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 13.324 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00498 (Junge-Pankow, Mackay avg)
0.00874 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1273 L/kg (MCI method)
Log Koc: 3.105 (MCI method)
Koc : 2971 L/kg (Kow method)
Log Koc: 3.473 (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 = 3.198 (BCF = 1579 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.5838 days (HL = 3.835 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.146 (BCF = 1400)
Log BAF Arnot-Gobas method (upper trophic) = 3.210 (BAF = 1621)
log Kow used: 5.35 (estimated)
Volatilization from Water:
Henry LC: 1.99E-006 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 440.3 hours (18.34 days)
Half-Life from Model Lake : 4928 hours (205.3 days)
Removal In Wastewater Treatment:
Total removal: 86.07 percent
Total biodegradation: 0.73 percent
Total sludge adsorption: 85.33 percent
Total to Air: 0.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.548 26.6 1000
Water 14.2 1.44e+003 1000
Soil 84.1 2.88e+003 1000
Sediment 1.18 1.3e+004 0
Persistence Time: 1.64e+003 hr