The Good Scents Company Information Listings

This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet

CAS Num: 013477-62-8


CHEM : 2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropyl)-

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) = 3.66

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

Boiling Pt (deg C): 181.94 (Adapted Stein & Brown method)

Melting Pt (deg C): -31.71 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.21 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 161 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 52.98

log Kow used: 3.66 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 435.3 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 4.62E-004 atm-m3/mole (4.68E+001 Pa-m3/mole)

Group Method: 1.99E-003 atm-m3/mole (2.01E+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: 4.696E-003 atm-m3/mole (4.758E+002 Pa-m3/mole)

VP: 1.21 mm Hg (source: MPBPVP)

WS: 53 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.66 (KowWin est)

Log Kaw used: -1.724 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.384

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3258

Biowin2 (Non-Linear Model) : 0.0666

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8452 (weeks )

Biowin4 (Primary Survey Model) : 3.6125 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3328

Biowin6 (MITI Non-Linear Model): 0.2220

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0809

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 147 Pa (1.1 mm Hg)

Log Koa (Koawin est ): 5.384

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

Mackay model : 2.05E-008

Octanol/air (Koa) model: 5.94E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 7.39E-007

Mackay model : 1.64E-006

Octanol/air (Koa) model: 4.75E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 37.5815 E-12 cm3/molecule-sec

Half-Life = 0.285 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.415 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.19E-006 (Junge-Pankow, Mackay avg)

4.75E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 268.7 L/kg (MCI method)

Log Koc: 2.429 (MCI method)

Koc : 722.7 L/kg (Kow method)

Log Koc: 2.859 (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 = 2.084 (BCF = 121.3 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0470 days (HL = 1.114 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.377 (BCF = 238.5)

Log BAF Arnot-Gobas method (upper trophic) = 2.378 (BAF = 238.5)

log Kow used: 3.66 (estimated)

Volatilization from Water:

Henry LC: 0.000462 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.86 hours

Half-Life from Model Lake : 136 hours (5.667 days)

Removal In Wastewater Treatment:

Total removal: 30.24 percent

Total biodegradation: 0.19 percent

Total sludge adsorption: 15.74 percent

Total to Air: 14.30 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.4 6.83 1000

Water 22.1 360 1000

Soil 76.2 720 1000

Sediment 0.265 3.24e+003 0

Persistence Time: 340 hr

Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) Disclaimer Privacy Policy