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CAS Number: 8050-25-7


CHEM : Resin acids and Rosin acids, esters with triethylene glycol

MOL FOR: C26 H42 O5

MOL WT : 434.62

------------------------------ 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) = 5.22

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 487.47 (Adapted Stein & Brown method)

Melting Pt (deg C): 206.49 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 5.38E-012 (Modified Grain method)

VP (Pa, 25 deg C) : 7.17E-010 (Modified Grain method)

Subcooled liquid VP: 4.5E-010 mm Hg (25 deg C, Mod-Grain method)

: 6E-008 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 0.2081

log Kow used: 5.22 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.8368 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:


Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 2.54E-011 atm-m3/mole (2.57E-006 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: 1.478E-011 atm-m3/mole (1.498E-006 Pa-m3/mole)

VP: 5.38E-012 mm Hg (source: MPBPVP)

WS: 0.208 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 5.22 (KowWin est)

Log Kaw used: -8.984 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 14.204

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.1890

Biowin2 (Non-Linear Model) : 0.0003

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.0973 (months )

Biowin4 (Primary Survey Model) : 3.2527 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4653

Biowin6 (MITI Non-Linear Model): 0.0984

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.1587

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): 6E-008 Pa (4.5E-010 mm Hg)

Log Koa (Koawin est ): 14.204

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 50

Octanol/air (Koa) model: 39.3

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.999

Mackay model : 1

Octanol/air (Koa) model: 1

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 311.1342 E-12 cm3/molecule-sec

Half-Life = 0.034 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 24.752 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 1000.000000 E-17 cm3/molecule-sec

Half-Life = 0.001 Days (at 7E11 mol/cm3)

Half-Life = 1.650 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 9337 L/kg (MCI method)

Log Koc: 3.970 (MCI method)

Koc : 1426 L/kg (Kow method)

Log Koc: 3.154 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 2.493E-002 L/mol-sec

Kb Half-Life at pH 8: 321.797 days

Kb Half-Life at pH 7: 8.810 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 3.114 (BCF = 1301 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1289 days (HL = 0.7432 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.476 (BCF = 299.5)

Log BAF Arnot-Gobas method (upper trophic) = 2.479 (BAF = 301)

log Kow used: 5.22 (estimated)

Volatilization from Water:

Henry LC: 2.54E-011 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4.805E+007 hours (2.002E+006 days)

Half-Life from Model Lake : 5.242E+008 hours (2.184E+007 days)

Removal In Wastewater Treatment:

Total removal: 83.55 percent

Total biodegradation: 0.72 percent

Total sludge adsorption: 82.84 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.000728 0.0266 1000

Water 12.5 1.44e+003 1000

Soil 78.8 2.88e+003 1000

Sediment 8.76 1.3e+004 0

Persistence Time: 1.75e+003 hr

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