SMILES : C32(C)C(C(C)(C(=O)OC)CCC3)CCC1C2CCC(C(C)C)C1
CHEM : Resin acids and Rosin acids, hydrogenated, Me esters
CAS NUM: 008050-15-5
MOL FOR: C21 H36 O2
MOL WT : 320.52
------------------------------ 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) = 6.92
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 354.10 (Adapted Stein & Brown method)
Melting Pt (deg C): 112.70 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.44E-005 (Modified Grain method)
Subcooled liquid VP: 0.000105 mm Hg (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 0.0115
log Kow used: 6.92 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.019075 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 2.46E-003 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 5.281E-004 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 6.92 (KowWin est)
Log Kaw used: -0.998 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.918
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4013
Biowin2 (Non-Linear Model) : 0.2871
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.2068 (months )
Biowin4 (Primary Survey Model) : 3.3074 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3965
Biowin6 (MITI Non-Linear Model): 0.1080
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.0265
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.014 Pa (0.000105 mm Hg)
Log Koa (Koawin est ): 7.918
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000214
Octanol/air (Koa) model: 2.03E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00768
Mackay model : 0.0169
Octanol/air (Koa) model: 0.00162
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 29.0176 E-12 cm3/molecule-sec
Half-Life = 0.369 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.423 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 0.0123 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 1.176E+005
Log Koc: 5.071
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Total Kb for pH > 8 at 25 deg C : 1.212E-002 L/mol-sec
Kb Half-Life at pH 8: 1.813 years
Kb Half-Life at pH 7: 18.126 years
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 4.627 (BCF = 4.232e+004)
log Kow used: 6.92 (estimated)
Volatilization from Water:
Henry LC: 0.00246 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 5.87 hours
Half-Life from Model Lake : 174.7 hours (7.279 days)
Removal In Wastewater Treatment:
Total removal: 93.84 percent
Total biodegradation: 0.77 percent
Total sludge adsorption: 92.84 percent
Total to Air: 0.23 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0935 8.85 1000
Water 1.58 1.44e+003 1000
Soil 32.2 2.88e+003 1000
Sediment 66.1 1.3e+004 0
Persistence Time: 4.31e+003 hr