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CAS Num: 059259-38-0


CHEM : Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl este

r, [1R-[1a(R*),2 ,5a]]-

MOL FOR: C13 H24 O3

MOL WT : 228.33

------------------------------ 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) = 3.34

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

Boiling Pt (deg C): 297.71 (Adapted Stein & Brown method)

Melting Pt (deg C): 47.66 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 9.69E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0129 (Modified Grain method)

Subcooled liquid VP: 0.000156 mm Hg (25 deg C, Mod-Grain method)

: 0.0208 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 141.4

log Kow used: 3.34 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 732.12 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 2.05E-004 atm-m3/mole (2.08E+001 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: 2.059E-007 atm-m3/mole (2.086E-002 Pa-m3/mole)

VP: 9.69E-005 mm Hg (source: MPBPVP)

WS: 141 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.34 (KowWin est)

Log Kaw used: -2.077 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.417

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9718

Biowin2 (Non-Linear Model) : 0.9931

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9948 (weeks )

Biowin4 (Primary Survey Model) : 3.8767 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5345

Biowin6 (MITI Non-Linear Model): 0.3974

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2490

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): 0.0208 Pa (0.000156 mm Hg)

Log Koa (Koawin est ): 5.417

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

Mackay model : 0.000144

Octanol/air (Koa) model: 6.41E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00518

Mackay model : 0.0114

Octanol/air (Koa) model: 5.13E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 20.7805 E-12 cm3/molecule-sec

Half-Life = 0.515 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.177 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00829 (Junge-Pankow, Mackay avg)

5.13E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 70.73 L/kg (MCI method)

Log Koc: 1.850 (MCI method)

Koc : 197.5 L/kg (Kow method)

Log Koc: 2.296 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.787E-001 L/mol-sec

Kb Half-Life at pH 8: 28.786 days

Kb Half-Life at pH 7: 287.861 days

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.870 (BCF = 74.19 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.9938 days (HL = 0.1014 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.557 (BCF = 36.09)

Log BAF Arnot-Gobas method (upper trophic) = 1.557 (BAF = 36.09)

log Kow used: 3.34 (estimated)

Volatilization from Water:

Henry LC: 0.000205 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 5.858 hours

Half-Life from Model Lake : 190.6 hours (7.942 days)

Removal In Wastewater Treatment:

Total removal: 17.65 percent

Total biodegradation: 0.15 percent

Total sludge adsorption: 9.29 percent

Total to Air: 8.22 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.53 12.4 1000

Water 28.2 360 1000

Soil 69.1 720 1000

Sediment 0.133 3.24e+003 0

Persistence Time: 316 hr

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