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CAS Number: 20019-62-9
SMILES : CC(=C)C1CC=C(C)CC1O
CHEM :
MOL FOR: C10 H16 O1
MOL WT : 152.24
------------------------------ 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) = 3.29
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 230.02 (Adapted Stein & Brown method)
Melting Pt (deg C): 5.73 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0116 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.55 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 372.6
log Kow used: 3.29 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1256.1 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.39E-005 atm-m3/mole (1.41E+000 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 6.236E-006 atm-m3/mole (6.319E-001 Pa-m3/mole)
VP: 0.0116 mm Hg (source: MPBPVP)
WS: 373 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.29 (KowWin est)
Log Kaw used: -3.245 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.535
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8338
Biowin2 (Non-Linear Model) : 0.8770
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0227 (weeks )
Biowin4 (Primary Survey Model) : 3.7575 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5041
Biowin6 (MITI Non-Linear Model): 0.3713
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4280
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): 1.44 Pa (0.0108 mm Hg)
Log Koa (Koawin est ): 6.535
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.08E-006
Octanol/air (Koa) model: 8.41E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 7.52E-005
Mackay model : 0.000167
Octanol/air (Koa) model: 6.73E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 154.2173 E-12 cm3/molecule-sec
Half-Life = 0.069 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.832 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 44.200001 E-17 cm3/molecule-sec
Half-Life = 0.026 Days (at 7E11 mol/cm3)
Half-Life = 37.336 Min
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.000121 (Junge-Pankow, Mackay avg)
6.73E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 88.15 L/kg (MCI method)
Log Koc: 1.945 (MCI method)
Koc : 215.5 L/kg (Kow method)
Log Koc: 2.333 (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 = 1.837 (BCF = 68.74 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.0264 days (HL = 1.063 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.149 (BCF = 140.8)
Log BAF Arnot-Gobas method (upper trophic) = 2.149 (BAF = 140.8)
log Kow used: 3.29 (estimated)
Volatilization from Water:
Henry LC: 1.39E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 53.23 hours (2.218 days)
Half-Life from Model Lake : 684.2 hours (28.51 days)
Removal In Wastewater Treatment:
Total removal: 9.74 percent
Total biodegradation: 0.15 percent
Total sludge adsorption: 8.88 percent
Total to Air: 0.71 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.056 0.453 1000
Water 28.3 360 1000
Soil 71.5 720 1000
Sediment 0.153 3.24e+003 0
Persistence Time: 420 hr