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CAS Num: 000060-12-8

SMILES : OCCc(cccc1)c1

CHEM : Benzeneethanol

MOL FOR: C8 H10 O1

MOL WT : 122.17

------------------------------ 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) = 1.57

Log Kow (Exper. database match) = 1.36

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 224.85 (Adapted Stein & Brown method)

Melting Pt (deg C): 5.81 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0243 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 3.24 (Mean VP of Antoine & Grain methods)

MP (exp database): -27 deg C

BP (exp database): 218.2 deg C

VP (exp database): 8.68E-02 mm Hg (1.16E+001 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 2.199e+004

log Kow used: 1.36 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 2.22e+004 mg/L (25 deg C)

Exper. Ref: VALVANI, SC ET AL. (1981)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 10603 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.89E-007 atm-m3/mole (2.92E-002 Pa-m3/mole)

Group Method: 1.02E-007 atm-m3/mole (1.03E-002 Pa-m3/mole)

Exper Database: 2.56E-07 atm-m3/mole (2.59E-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: 1.776E-007 atm-m3/mole (1.800E-002 Pa-m3/mole)

VP: 0.0243 mm Hg (source: MPBPVP)

WS: 2.2E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.36 (exp database)

Log Kaw used: -4.980 (exp database)

Log Koa (KOAWIN v1.10 estimate): 6.340

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0309

Biowin2 (Non-Linear Model) : 0.9916

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0363 (weeks )

Biowin4 (Primary Survey Model) : 3.7373 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5446

Biowin6 (MITI Non-Linear Model): 0.7127

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6141

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): 11.6 Pa (0.0868 mm Hg)

Log Koa (Koawin est ): 6.340

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

Mackay model : 2.59E-007

Octanol/air (Koa) model: 5.37E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 9.36E-006

Mackay model : 2.07E-005

Octanol/air (Koa) model: 4.3E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 10.1548 E-12 cm3/molecule-sec

Half-Life = 1.053 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 12.640 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.5E-005 (Junge-Pankow, Mackay avg)

4.3E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 39.1 L/kg (MCI method)

Log Koc: 1.592 (MCI method)

Koc : 18.45 L/kg (Kow method)

Log Koc: 1.266 (Kow method)

Experimental Log Koc: 1.5 (database)

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 = 0.309 (BCF = 2.036 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.3272 days (HL = 0.04707 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.376 (BCF = 2.376)

Log BAF Arnot-Gobas method (upper trophic) = 0.376 (BAF = 2.376)

log Kow used: 1.36 (expkow database)

Volatilization from Water:

Henry LC: 2.56E-007 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 2529 hours (105.4 days)

Half-Life from Model Lake : 2.768E+004 hours (1153 days)

Removal In Wastewater Treatment:

Total removal: 1.95 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.85 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 1.49 25.3 1000

Water 29.1 360 1000

Soil 69.3 720 1000

Sediment 0.101 3.24e+003 0

Persistence Time: 482 hr

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