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CAS Number: 112-47-0

SMILES : OCCCCCCCCCCO

CHEM : 1,10-Decanediol

MOL FOR: C10 H22 O2

MOL WT : 174.29

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Vapor Pressure (mm Hg) : ------

Water Solubility (mg/L): ------

Henry LC (atm-m3/mole) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 2.73

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

Boiling Pt (deg C): 299.96 (Adapted Stein & Brown method)

Melting Pt (deg C): 56.21 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.53E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00338 (Modified Grain method)

MP (exp database): 74 deg C

Subcooled liquid VP: 7.37E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.00983 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 274

log Kow used: 2.73 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 1400 mg/L (40 deg C)

Exper. Ref: BEILSTEIN

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2102.7 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.26E-006 atm-m3/mole (1.28E-001 Pa-m3/mole)

Group Method: 8.88E-010 atm-m3/mole (9.00E-005 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: 2.118E-008 atm-m3/mole (2.146E-003 Pa-m3/mole)

VP: 2.53E-005 mm Hg (source: MPBPVP)

WS: 274 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.73 (KowWin est)

Log Kaw used: -4.288 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.018

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9820

Biowin2 (Non-Linear Model) : 0.9410

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1340 (weeks )

Biowin4 (Primary Survey Model) : 3.8552 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.0101

Biowin6 (MITI Non-Linear Model): 0.9781

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.3615

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): 0.00983 Pa (7.37E-005 mm Hg)

Log Koa (Koawin est ): 7.018

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

Mackay model : 0.000305

Octanol/air (Koa) model: 2.56E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0109

Mackay model : 0.0238

Octanol/air (Koa) model: 0.000205

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 19.6261 E-12 cm3/molecule-sec

Half-Life = 0.545 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.540 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0174 (Junge-Pankow, Mackay avg)

0.000205 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 11.14 L/kg (MCI method)

Log Koc: 1.047 (MCI method)

Koc : 40.95 L/kg (Kow method)

Log Koc: 1.612 (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 = 1.468 (BCF = 29.36 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.0264 days (HL = 0.09409 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.346 (BCF = 22.2)

Log BAF Arnot-Gobas method (upper trophic) = 1.346 (BAF = 22.2)

log Kow used: 2.73 (estimated)

Volatilization from Water:

Henry LC: 1.26E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 614.8 hours (25.62 days)

Half-Life from Model Lake : 6818 hours (284.1 days)

Removal In Wastewater Treatment:

Total removal: 4.02 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 3.84 percent

Total to Air: 0.07 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.4 13.1 1000

Water 38.7 360 1000

Soil 59.8 720 1000

Sediment 0.0889 3.24e+003 0

Persistence Time: 386 hr

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