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CAS Num: 068606-94-0


CHEM : Oils, orange, sweet, terpene-free

MOL FOR: C10 H20 O1

MOL WT : 156.27

------------------------------ 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) = 3.76

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

Boiling Pt (deg C): 216.09 (Adapted Stein & Brown method)

Melting Pt (deg C): -8.09 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.235 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 31.4 (Mean VP of Antoine & Grain methods)

MP (exp database): -5 deg C

BP (exp database): 208.5 deg C

VP (exp database): 1.03E-01 mm Hg (1.37E+001 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 43.52

log Kow used: 3.76 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 85.498 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aldehydes (Mono)

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

Bond Method : 6.54E-004 atm-m3/mole (6.63E+001 Pa-m3/mole)

Group Method: 9.52E-004 atm-m3/mole (9.64E+001 Pa-m3/mole)

Exper Database: 1.80E-03 atm-m3/mole (1.82E+002 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: 1.110E-003 atm-m3/mole (1.125E+002 Pa-m3/mole)

VP: 0.235 mm Hg (source: MPBPVP)

WS: 43.5 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.76 (KowWin est)

Log Kaw used: -1.133 (exp database)

Log Koa (KOAWIN v1.10 estimate): 4.893

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0662

Biowin2 (Non-Linear Model) : 0.9999

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1745 (weeks )

Biowin4 (Primary Survey Model) : 4.0880 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.0544

Biowin6 (MITI Non-Linear Model): 0.9854

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7693

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): 13.7 Pa (0.103 mm Hg)

Log Koa (Koawin est ): 4.893

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

Mackay model : 2.18E-007

Octanol/air (Koa) model: 1.92E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 7.89E-006

Mackay model : 1.75E-005

Octanol/air (Koa) model: 1.53E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 34.4833 E-12 cm3/molecule-sec

Half-Life = 0.310 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.722 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.27E-005 (Junge-Pankow, Mackay avg)

1.53E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 65.7 L/kg (MCI method)

Log Koc: 1.818 (MCI method)

Koc : 596.5 L/kg (Kow method)

Log Koc: 2.776 (Kow method)

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

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.150 (BCF = 141.2 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.0621 days (HL = 0.8668 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.359 (BCF = 228.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.359 (BAF = 228.6)

log Kow used: 3.76 (estimated)

Volatilization from Water:

Henry LC: 0.0018 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.682 hours

Half-Life from Model Lake : 123.2 hours (5.132 days)

Removal In Wastewater Treatment:

Total removal: 51.48 percent

Total biodegradation: 0.17 percent

Total sludge adsorption: 16.65 percent

Total to Air: 34.66 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 5.09 7.44 1000

Water 47.4 360 1000

Soil 47.3 720 1000

Sediment 0.214 3.24e+003 0

Persistence Time: 141 hr

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