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 Num: 067634-03-1
SMILES : OCC(C(CCC(C1)C(C)C)C1)C
CHEM : Cyclohexaneethanol, -methyl-4-(1-methylethyl)-
MOL FOR: C12 H24 O1
MOL WT : 184.32
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 4.36
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 255.37 (Adapted Stein & Brown method)
Melting Pt (deg C): 10.63 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0023 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 0.306 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 31.87
log Kow used: 4.36 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 150.59 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.68E-005 atm-m3/mole (2.72E+000 Pa-m3/mole)
Group Method: 3.70E-005 atm-m3/mole (3.75E+000 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: 1.750E-005 atm-m3/mole (1.773E+000 Pa-m3/mole)
VP: 0.0023 mm Hg (source: MPBPVP)
WS: 31.9 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.36 (KowWin est)
Log Kaw used: -2.960 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.320
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8185
Biowin2 (Non-Linear Model) : 0.8189
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9518 (weeks )
Biowin4 (Primary Survey Model) : 3.7113 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3780
Biowin6 (MITI Non-Linear Model): 0.3066
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0233
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): 0.301 Pa (0.00226 mm Hg)
Log Koa (Koawin est ): 7.320
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 9.96E-006
Octanol/air (Koa) model: 5.13E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000359
Mackay model : 0.000796
Octanol/air (Koa) model: 0.00041
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 22.8563 E-12 cm3/molecule-sec
Half-Life = 0.468 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.616 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000578 (Junge-Pankow, Mackay avg)
0.00041 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 306.4 L/kg (MCI method)
Log Koc: 2.486 (MCI method)
Koc : 842 L/kg (Kow method)
Log Koc: 2.925 (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 = 2.546 (BCF = 351.5 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.0570 days (HL = 1.14 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.602 (BCF = 400)
Log BAF Arnot-Gobas method (upper trophic) = 2.603 (BAF = 400.6)
log Kow used: 4.36 (estimated)
Volatilization from Water:
Henry LC: 3.7E-005 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 22.87 hours
Half-Life from Model Lake : 363.3 hours (15.14 days)
Removal In Wastewater Treatment:
Total removal: 49.20 percent
Total biodegradation: 0.46 percent
Total sludge adsorption: 47.76 percent
Total to Air: 0.98 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.19 11.2 1000
Water 24.2 360 1000
Soil 74.3 720 1000
Sediment 0.32 3.24e+003 0
Persistence Time: 440 hr