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: 23445-02-5
SMILES : CC1CCC(C2C13C2C(CC3)(C)O)C(C)C
CHEM : (3S,3aR,3bR,4S,7R,7aR)-3,7-dimethyl-4-(propan-2-yl)octahydro-1H-cyclo
penta[1,3]cyclopropa[1,2]benzen-3-ol
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) = 5.32
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 277.54 (Adapted Stein & Brown method)
Melting Pt (deg C): 71.21 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000207 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0275 (Modified Grain method)
Subcooled liquid VP: 0.000564 mm Hg (25 deg C, Mod-Grain method)
: 0.0752 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 3.12
log Kow used: 5.32 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 6.1916 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: 2.13E-006 atm-m3/mole (2.16E-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: 1.941E-005 atm-m3/mole (1.967E+000 Pa-m3/mole)
VP: 0.000207 mm Hg (source: MPBPVP)
WS: 3.12 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.32 (KowWin est)
Log Kaw used: -3.302 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.622
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) : 0.2655
Biowin6 (MITI Non-Linear Model): 0.0636
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6388
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): 0.0752 Pa (0.000564 mm Hg)
Log Koa (Koawin est ): 8.622
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.99E-005
Octanol/air (Koa) model: 0.000103
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00144
Mackay model : 0.00318
Octanol/air (Koa) model: 0.00816
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 16.8293 E-12 cm3/molecule-sec
Half-Life = 0.636 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 7.627 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00231 (Junge-Pankow, Mackay avg)
0.00816 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1396 L/kg (MCI method)
Log Koc: 3.145 (MCI method)
Koc : 2860 L/kg (Kow method)
Log Koc: 3.456 (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 = 3.175 (BCF = 1495 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.8020 days (HL = 6.339 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.333 (BCF = 2154)
Log BAF Arnot-Gobas method (upper trophic) = 3.467 (BAF = 2931)
log Kow used: 5.32 (estimated)
Volatilization from Water:
Henry LC: 2.13E-006 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 411.4 hours (17.14 days)
Half-Life from Model Lake : 4613 hours (192.2 days)
Removal In Wastewater Treatment:
Total removal: 85.55 percent
Total biodegradation: 0.73 percent
Total sludge adsorption: 84.81 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 0.551 15.3 1000
Water 17.8 900 1000
Soil 80.3 1.8e+003 1000
Sediment 1.37 8.1e+003 0
Persistence Time: 1.08e+003 hr