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CAS Number: 65155-46-6
SMILES : CC(C)CCCCCCOC=O
CHEM :
MOL FOR: C10 H20 O2
MOL WT : 172.27
------------------------------ 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) = 3.68
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 200.67 (Adapted Stein & Brown method)
Melting Pt (deg C): -11.74 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.349 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 46.5 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 43.09
log Kow used: 3.68 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 46.558 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.32E-003 atm-m3/mole (2.35E+002 Pa-m3/mole)
Group Method: 3.70E-003 atm-m3/mole (3.75E+002 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: 1.836E-003 atm-m3/mole (1.860E+002 Pa-m3/mole)
VP: 0.349 mm Hg (source: MPBPVP)
WS: 43.1 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.68 (KowWin est)
Log Kaw used: -1.023 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.703
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8397
Biowin2 (Non-Linear Model) : 0.9905
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9587 (weeks )
Biowin4 (Primary Survey Model) : 3.8282 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7900
Biowin6 (MITI Non-Linear Model): 0.9252
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8389
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): 42.5 Pa (0.319 mm Hg)
Log Koa (Koawin est ): 4.703
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.05E-008
Octanol/air (Koa) model: 1.24E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.55E-006
Mackay model : 5.64E-006
Octanol/air (Koa) model: 9.91E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 11.6241 E-12 cm3/molecule-sec
Half-Life = 0.920 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 11.042 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
4.1E-006 (Junge-Pankow, Mackay avg)
9.91E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 204.5 L/kg (MCI method)
Log Koc: 2.311 (MCI method)
Koc : 785.3 L/kg (Kow method)
Log Koc: 2.895 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.258E+001 L/mol-sec
Kb Half-Life at pH 8: 15.304 hours
Kb Half-Life at pH 7: 6.376 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.096 (BCF = 124.7 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.1639 days (HL = 0.06857 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.448 (BCF = 28.07)
Log BAF Arnot-Gobas method (upper trophic) = 1.448 (BAF = 28.07)
log Kow used: 3.68 (estimated)
Volatilization from Water:
Henry LC: 0.0037 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.547 hours
Half-Life from Model Lake : 126.9 hours (5.289 days)
Removal In Wastewater Treatment:
Total removal: 64.31 percent
Total biodegradation: 0.12 percent
Total sludge adsorption: 13.11 percent
Total to Air: 51.08 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 10.5 22.1 1000
Water 38.2 360 1000
Soil 50.9 720 1000
Sediment 0.37 3.24e+003 0
Persistence Time: 168 hr