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CAS Number: 8050-26-8


CHEM : Resin acids and Rosin acids, esters with pentaerythritol

MOL FOR: C25 H40 O5

MOL WT : 420.59

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 5.61

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

Boiling Pt (deg C): 527.07 (Adapted Stein & Brown method)

Melting Pt (deg C): 225.24 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.76E-014 (Modified Grain method)

VP (Pa, 25 deg C) : 2.34E-012 (Modified Grain method)

Subcooled liquid VP: 2.46E-012 mm Hg (25 deg C, Mod-Grain method)

: 3.28E-010 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.03673

log Kow used: 5.61 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 11.438 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 3.29E-010 atm-m3/mole (3.33E-005 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: 2.652E-013 atm-m3/mole (2.687E-008 Pa-m3/mole)

VP: 1.76E-014 mm Hg (source: MPBPVP)

WS: 0.0367 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.61 (KowWin est)

Log Kaw used: -7.871 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 13.481

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6459

Biowin2 (Non-Linear Model) : 0.3317

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2535 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3979 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7951

Biowin6 (MITI Non-Linear Model): 0.4881

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.7649

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): 3.28E-010 Pa (2.46E-012 mm Hg)

Log Koa (Koawin est ): 13.481

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

Mackay model : 9.15E+003

Octanol/air (Koa) model: 7.43

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 0.998

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 291.4248 E-12 cm3/molecule-sec

Half-Life = 0.037 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 26.426 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)

0.998 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.11E+004 L/kg (MCI method)

Log Koc: 4.045 (MCI method)

Koc : 1379 L/kg (Kow method)

Log Koc: 3.140 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.785E-003 L/mol-sec

Kb Half-Life at pH 8: 5.802 years

Kb Half-Life at pH 7: 58.022 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 3.370 (BCF = 2344 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3972 days (HL = 0.4007 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.196 (BCF = 157.1)

Log BAF Arnot-Gobas method (upper trophic) = 2.198 (BAF = 157.6)

log Kow used: 5.61 (estimated)

Volatilization from Water:

Henry LC: 3.29E-010 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.65E+006 hours (1.521E+005 days)

Half-Life from Model Lake : 3.981E+007 hours (1.659E+006 days)

Removal In Wastewater Treatment:

Total removal: 89.52 percent

Total biodegradation: 0.75 percent

Total sludge adsorption: 88.77 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 0.0011 0.0267 1000

Water 15.7 900 1000

Soil 74.4 1.8e+003 1000

Sediment 9.89 8.1e+003 0

Persistence Time: 1.16e+003 hr

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