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CAS Num: 091770-81-9


CHEM : Terpenes and Terpenoids, turpentine-oil, limonene fraction,sulfurized

MOL FOR: C20 H34 S3

MOL WT : 370.67

------------------------------ 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) = 9.88

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

Boiling Pt (deg C): 431.59 (Adapted Stein & Brown method)

Melting Pt (deg C): 147.43 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 8.01E-008 (Modified Grain method)

VP (Pa, 25 deg C) : 1.07E-005 (Modified Grain method)

Subcooled liquid VP: 1.4E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.000187 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1.705e-005

log Kow used: 9.88 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0004777 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.44E-002 atm-m3/mole (6.52E+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: 2.291E-003 atm-m3/mole (2.322E+002 Pa-m3/mole)

VP: 8.01E-008 mm Hg (source: MPBPVP)

WS: 1.71E-005 mg/L (source: WSKOWWIN)

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

Log Kow used: 9.88 (KowWin est)

Log Kaw used: 0.420 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.460

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5711

Biowin2 (Non-Linear Model) : 0.0949

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.3800 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3129 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.2359

Biowin6 (MITI Non-Linear Model): 0.0020

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.5502

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.5900

BioHC Half-Life (days) : 38.9030

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

Vapor pressure (liquid/subcooled): 0.000187 Pa (1.4E-006 mm Hg)

Log Koa (Koawin est ): 9.460

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

Mackay model : 0.0161

Octanol/air (Koa) model: 0.000708

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.367

Mackay model : 0.563

Octanol/air (Koa) model: 0.0536

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 662.8397 E-12 cm3/molecule-sec

Half-Life = 0.016 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 11.618 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 86.000000 E-17 cm3/molecule-sec

Half-Life = 0.013 Days (at 7E11 mol/cm3)

Half-Life = 19.189 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.465 (Junge-Pankow, Mackay avg)

0.0536 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.315E+006 L/kg (MCI method)

Log Koc: 6.365 (MCI method)

Koc : 3.754E+008 L/kg (Kow method)

Log Koc: 8.574 (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 = 1.374 (BCF = 23.66 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.9947 days (HL = 98.78 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.342 (BCF = 22)

Log BAF Arnot-Gobas method (upper trophic) = 4.686 (BAF = 4.856e+004)

log Kow used: 9.88 (estimated)

Volatilization from Water:

Henry LC: 0.0644 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.982 hours

Half-Life from Model Lake : 183.1 hours (7.627 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.25 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 0.00769 0.175 1000

Water 16.6 900 1000

Soil 77.4 1.8e+003 1000

Sediment 5.98 8.1e+003 0

Persistence Time: 1.11e+003 hr

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