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CAS Number: 118395-91-8
SMILES : CC1CCC2C(C1O)C2(C)C
CHEM :
MOL FOR: C10 H18 O1
MOL WT : 154.25
------------------------------ 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) = 3.16
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 214.58 (Adapted Stein & Brown method)
Melting Pt (deg C): 22.65 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0303 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 4.05 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 472.7
log Kow used: 3.16 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 526.96 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.70E-006 atm-m3/mole (6.79E-001 Pa-m3/mole)
Group Method: 3.54E-006 atm-m3/mole (3.58E-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: 1.301E-005 atm-m3/mole (1.318E+000 Pa-m3/mole)
VP: 0.0303 mm Hg (source: MPBPVP)
WS: 473 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.16 (KowWin est)
Log Kaw used: -3.562 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.722
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6489
Biowin2 (Non-Linear Model) : 0.5530
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8061 (weeks )
Biowin4 (Primary Survey Model) : 3.6012 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5725
Biowin6 (MITI Non-Linear Model): 0.3750
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3137
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): 3.68 Pa (0.0276 mm Hg)
Log Koa (Koawin est ): 6.722
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 8.15E-007
Octanol/air (Koa) model: 1.29E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.94E-005
Mackay model : 6.52E-005
Octanol/air (Koa) model: 0.000104
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 5.2757 E-12 cm3/molecule-sec
Half-Life = 2.027 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 24.329 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
4.73E-005 (Junge-Pankow, Mackay avg)
0.000104 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 81.98 L/kg (MCI method)
Log Koc: 1.914 (MCI method)
Koc : 182.6 L/kg (Kow method)
Log Koc: 2.262 (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 = 1.750 (BCF = 56.29 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.3038 days (HL = 2.013 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.112 (BCF = 129.5)
Log BAF Arnot-Gobas method (upper trophic) = 2.112 (BAF = 129.5)
log Kow used: 3.16 (estimated)
Volatilization from Water:
Henry LC: 3.54E-006 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 206.7 hours (8.612 days)
Half-Life from Model Lake : 2359 hours (98.28 days)
Removal In Wastewater Treatment:
Total removal: 7.48 percent
Total biodegradation: 0.14 percent
Total sludge adsorption: 7.16 percent
Total to Air: 0.19 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 3 48.6 1000
Water 28 360 1000
Soil 68.8 720 1000
Sediment 0.144 3.24e+003 0
Persistence Time: 452 hr