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CAS Number: 932-01-4
SMILES : CC1(CCC(CC1)O)C
CHEM :
MOL FOR: C8 H16 O1
MOL WT : 128.22
------------------------------ EPI SUMMARY (v4.11) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 2.51
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 186.61 (Adapted Stein & Brown method)
Melting Pt (deg C): -5.04 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.164 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 21.9 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2179
log Kow used: 2.51 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 7702.7 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.63E-006 atm-m3/mole (8.74E-001 Pa-m3/mole)
Group Method: 8.88E-006 atm-m3/mole (9.00E-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: 1.270E-005 atm-m3/mole (1.287E+000 Pa-m3/mole)
VP: 0.164 mm Hg (source: MPBPVP)
WS: 2.18E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.51 (KowWin est)
Log Kaw used: -3.452 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.962
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6613
Biowin2 (Non-Linear Model) : 0.6417
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8637 (weeks )
Biowin4 (Primary Survey Model) : 3.6388 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6516
Biowin6 (MITI Non-Linear Model): 0.7470
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0349
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 19.5 Pa (0.146 mm Hg)
Log Koa (Koawin est ): 5.962
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.54E-007
Octanol/air (Koa) model: 2.25E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.57E-006
Mackay model : 1.23E-005
Octanol/air (Koa) model: 1.8E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 16.3993 E-12 cm3/molecule-sec
Half-Life = 0.652 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 7.827 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
8.95E-006 (Junge-Pankow, Mackay avg)
1.8E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 26.29 L/kg (MCI method)
Log Koc: 1.420 (MCI method)
Koc : 79.8 L/kg (Kow method)
Log Koc: 1.902 (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 v3.01):
Log BCF from regression-based method = 1.322 (BCF = 20.99 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.5671 days (HL = 0.271 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.410 (BCF = 25.69)
Log BAF Arnot-Gobas method (upper trophic) = 1.410 (BAF = 25.69)
log Kow used: 2.51 (estimated)
Volatilization from Water:
Henry LC: 8.88E-006 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 75.81 hours (3.159 days)
Half-Life from Model Lake : 922 hours (38.42 days)
Removal In Wastewater Treatment:
Total removal: 3.60 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 3.01 percent
Total to Air: 0.49 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.69 15.7 1000
Water 34 360 1000
Soil 64.2 720 1000
Sediment 0.0996 3.24e+003 0
Persistence Time: 395 hr