SMILES : O=C(OCCCCCCCCCC=C)C
CHEM : 10-Undecen-1-ol, acetate
CAS NUM: 000112-19-6
MOL FOR: C13 H24 O2
MOL WT : 212.34
------------------------------ EPI SUMMARY (v3.20) --------------------------
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) = 5.15
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 263.64 (Adapted Stein & Brown method)
Melting Pt (deg C): 21.98 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0131 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.517
log Kow used: 5.15 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.4258 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 2.22E-003 atm-m3/mole
Group Method: 1.12E-003 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 2.413E-003 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.15 (KowWin est)
Log Kaw used: -1.042 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.192
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8206
Biowin2 (Non-Linear Model) : 0.9833
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8701 (weeks )
Biowin4 (Primary Survey Model) : 3.7703 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8879
Biowin6 (MITI Non-Linear Model): 0.9433
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.9417
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): 1.76 Pa (0.0132 mm Hg)
Log Koa (Koawin est ): 6.192
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.7E-006
Octanol/air (Koa) model: 3.82E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 6.16E-005
Mackay model : 0.000136
Octanol/air (Koa) model: 3.06E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 39.2204 E-12 cm3/molecule-sec
Half-Life = 0.273 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.273 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec
Half-Life = 0.955 Days (at 7E11 mol/cm3)
Half-Life = 22.920 Hrs
Fraction sorbed to airborne particulates (phi): 9.9E-005 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 1514
Log Koc: 3.180
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Total Kb for pH > 8 at 25 deg C : 4.568E-002 L/mol-sec
Kb Half-Life at pH 8: 175.623 days
Kb Half-Life at pH 7: 4.808 years
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 2.264 (BCF = 183.5)
log Kow used: 5.15 (estimated)
Volatilization from Water:
Henry LC: 0.00112 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 5.4 hours
Half-Life from Model Lake : 146.7 hours (6.113 days)
Removal In Wastewater Treatment:
Total removal: 83.84 percent
Total biodegradation: 0.65 percent
Total sludge adsorption: 77.94 percent
Total to Air: 5.25 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.606 5.09 1000
Water 12.6 360 1000
Soil 67.1 720 1000
Sediment 19.7 3.24e+003 0
Persistence Time: 514 hr