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CAS Num: 008006-64-2

SMILES : CC1(C)C23C1CC2C(C)=CC3

CHEM : Turpentine, oil

MOL FOR: C11 H16

MOL WT : 148.25

------------------------------ 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) = 4.19

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

Boiling Pt (deg C): 167.14 (Adapted Stein & Brown method)

Melting Pt (deg C): 19.34 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.38 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 318 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 5.875

log Kow used: 4.19 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.0031 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.27E-002 atm-m3/mole (6.35E+003 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: 7.902E-002 atm-m3/mole (8.007E+003 Pa-m3/mole)

VP: 2.38 mm Hg (source: MPBPVP)

WS: 5.88 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.19 (KowWin est)

Log Kaw used: 0.409 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.781

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3091

Biowin2 (Non-Linear Model) : 0.0729

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4473 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3270 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4781

Biowin6 (MITI Non-Linear Model): 0.3418

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3057

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 2.8466

BioHC Half-Life (days) : 702.4797

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 291 Pa (2.18 mm Hg)

Log Koa (Koawin est ): 3.781

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

Mackay model : 1.03E-008

Octanol/air (Koa) model: 1.48E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.73E-007

Mackay model : 8.26E-007

Octanol/air (Koa) model: 1.19E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 89.0476 E-12 cm3/molecule-sec

Half-Life = 0.120 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.441 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):

5.99E-007 (Junge-Pankow, Mackay avg)

1.19E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1824 L/kg (MCI method)

Log Koc: 3.261 (MCI method)

Koc : 4326 L/kg (Kow method)

Log Koc: 3.636 (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 = 2.434 (BCF = 271.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.4745 days (HL = 2.982 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.848 (BCF = 704.1)

Log BAF Arnot-Gobas method (upper trophic) = 2.851 (BAF = 709)

log Kow used: 4.19 (estimated)

Volatilization from Water:

Henry LC: 0.0627 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.254 hours

Half-Life from Model Lake : 115.8 hours (4.824 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 96.78 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 23.74 percent

Total to Air: 72.95 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.445 0.523 1000

Water 55.4 900 1000

Soil 38.5 1.8e+003 1000

Sediment 5.7 8.1e+003 0

Persistence Time: 141 hr

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