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CAS Num: 004306-65-4
SMILES : CC1(CC(C)CC(C1)C)C
CHEM : CYCLOHEXANE,1,1,3,5-TETRAMETHYL
MOL FOR: C10 H20
MOL WT : 140.27
------------------------------ 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) = 4.88
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 150.19 (Adapted Stein & Brown method)
Melting Pt (deg C): -36.93 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.6 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 613 (Mean VP of Antoine & Grain methods)
BP (exp database): 152.5 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.643
log Kow used: 4.88 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.96142 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 7.92E-001 atm-m3/mole (8.03E+004 Pa-m3/mole)
Group Method: 1.34E+000 atm-m3/mole (1.36E+005 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: 5.167E-001 atm-m3/mole (5.236E+004 Pa-m3/mole)
VP: 4.6 mm Hg (source: MPBPVP)
WS: 1.64 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.88 (KowWin est)
Log Kaw used: 1.510 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.370
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4968
Biowin2 (Non-Linear Model) : 0.3304
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6771 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4919 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4482
Biowin6 (MITI Non-Linear Model): 0.3552
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0976
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.0975
BioHC Half-Life (days) : 12.5168
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 563 Pa (4.22 mm Hg)
Log Koa (Koawin est ): 3.370
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.33E-009
Octanol/air (Koa) model: 5.75E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.93E-007
Mackay model : 4.27E-007
Octanol/air (Koa) model: 4.6E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 10.7783 E-12 cm3/molecule-sec
Half-Life = 0.992 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 11.908 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
3.1E-007 (Junge-Pankow, Mackay avg)
4.6E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 876.9 L/kg (MCI method)
Log Koc: 2.943 (MCI method)
Koc : 1.718E+004 L/kg (Kow method)
Log Koc: 4.235 (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 = 2.888 (BCF = 772.8 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.5996 days (HL = 3.977 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.765 (BCF = 5827)
Log BAF Arnot-Gobas method (upper trophic) = 4.585 (BAF = 3.846e+004)
log Kow used: 4.88 (estimated)
Volatilization from Water:
Henry LC: 0.792 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.209 hours
Half-Life from Model Lake : 112.5 hours (4.688 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 99.78 percent
Total biodegradation: 0.14 percent
Total sludge adsorption: 45.21 percent
Total to Air: 54.42 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 20.6 23.8 1000
Water 73.2 900 1000
Soil 2.68 1.8e+003 1000
Sediment 3.54 8.1e+003 0
Persistence Time: 107 hr