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CAS Num: 067633-99-2


CHEM : Butanoic acid, 5-(2,3-dimethyltricyclo,6 hept-3-yl)-2-methyl

-2-pentenyl ester

MOL FOR: C19 H30 O2

MOL WT : 290.45

------------------------------ EPI SUMMARY (v4.00) --------------------------

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) = 6.95

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

Boiling Pt (deg C): 333.77 (Adapted Stein & Brown method)

Melting Pt (deg C): 105.55 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 5.19E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00693 (Modified Grain method)

Subcooled liquid VP: 0.000319 mm Hg (25 deg C, Mod-Grain method)

: 0.0425 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 0.0162

log Kow used: 6.95 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.015371 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


Vinyl/Allyl Esters

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

Bond Method : 1.45E-003 atm-m3/mole (1.47E+002 Pa-m3/mole)

Group Method: 6.74E-005 atm-m3/mole (6.83E+000 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: 1.224E-003 atm-m3/mole (1.241E+002 Pa-m3/mole)

VP: 5.19E-005 mm Hg (source: MPBPVP)

WS: 0.0162 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.95 (KowWin est)

Log Kaw used: -1.227 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.177

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4156

Biowin2 (Non-Linear Model) : 0.3816

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2733 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3508 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6587

Biowin6 (MITI Non-Linear Model): 0.4313

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0441

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): 0.0425 Pa (0.000319 mm Hg)

Log Koa (Koawin est ): 8.177

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

Mackay model : 7.05E-005

Octanol/air (Koa) model: 3.69E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00254

Mackay model : 0.00561

Octanol/air (Koa) model: 0.00294

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 95.2681 E-12 cm3/molecule-sec

Half-Life = 0.112 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.347 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec

Half-Life = 0.027 Days (at 7E11 mol/cm3)

Half-Life = 38.378 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.00408 (Junge-Pankow, Mackay avg)

0.00294 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3.018E+004 L/kg (MCI method)

Log Koc: 4.480 (MCI method)

Koc : 5.055E+004 L/kg (Kow method)

Log Koc: 4.704 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.798E-001 L/mol-sec

Kb Half-Life at pH 8: 44.625 days

Kb Half-Life at pH 7: 1.222 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 4.253 (BCF = 1.789e+004 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.5749 days (HL = 3.758 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.724 (BCF = 529.4)

Log BAF Arnot-Gobas method (upper trophic) = 3.497 (BAF = 3140)

log Kow used: 6.95 (estimated)

Volatilization from Water:

Henry LC: 6.74E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 16.54 hours

Half-Life from Model Lake : 323.4 hours (13.47 days)

Removal In Wastewater Treatment:

Total removal: 93.82 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.04 percent

Total to Air: 0.01 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0241 0.517 1000

Water 12.4 900 1000

Soil 72.6 1.8e+003 1000

Sediment 14.9 8.1e+003 0

Persistence Time: 1.19e+003 hr

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